Felbinac ethyl
PubChem CID
26436
Structure
Molecular Formula
Synonyms
- Felbinac ethyl
- 14062-23-8
- Felbinac ethyl ester
- ethyl 4-biphenylacetate
- felbinacethyl
Molecular Weight
240.30 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-06-24
- Modify:2025-01-18
Description
Felbinac ethyl is a member of biphenyls.
Chemical Structure Depiction
ethyl 2-(4-phenylphenyl)acetate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
NPPJLSILDPVHCM-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H16O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 4-biphenylylacetic acid ethyl ester
- BPAA-Et
- ethyl 4-biphenyl acetate
- ethyl 4-biphenylacetate
- felbinac ethyl ester
- LM 001
- LM-001
- Felbinac ethyl
- 14062-23-8
- Felbinac ethyl ester
- ethyl 4-biphenylacetate
- felbinacethyl
- Ethyl p-biphenylylacetate
- Ethyl 2-([1,1'-biphenyl]-4-yl)acetate
- ethyl 2-(4-phenylphenyl)acetate
- LM-001
- Felbinac ethyl [JAN]
- Acetic acid, (4-biphenylyl)-, ethyl ester
- 4-BIPHENYLACETIC ACID, ETHYL ESTER
- DTXSID3046160
- 978ZPS989U
- Felbinac ethyl (JAN)
- NCGC00160454-01
- 4-Biphenylacetic acid ethyl ester
- Ethyl (4-biphenylyl)acetate
- ethyl 2-{[1,1'-biphenyl]-4-yl}acetate
- ethyl 2-(biphenyl-4-yl)acetate
- ethyl 4-biphenylylacetate
- LM 001
- BRN 2052035
- Daitac
- felbinac-ethyl
- UNII-978ZPS989U
- (1,1'-Biphenyl)-4-acetic acid ethyl ester
- 4-biphenylylacetic acid ethyl ester
- Biphenyl-4-ylacetic acid ethyl ester
- DIATEC
- ethyl 4-biphenylyl acetate
- Ethyl (4'-biphenyl)acetate
- 3-09-00-03321 (Beilstein Handbook Reference)
- SCHEMBL3227634
- CHEMBL1886408
- DTXCID1026160
- CHEBI:31598
- FELBINAC ETHYL ESTER [MI]
- NPPJLSILDPVHCM-UHFFFAOYSA-N
- BDBM442805
- Tox21_111824
- LJC-10253
- MFCD01740348
- AKOS001253929
- FELBINAC ETHYL ESTER [WHO-DD]
- Ethyl2-([1,1'-biphenyl]-4-yl)acetate
- CAS-14062-23-8
- CS-0361363
- D01841
- SBI-0654017.0001
- EN300-15134876
- SR-01000944969
- SR-01000944969-1
- (1,1'-BIPHENYL)-4-ACETIC ACID, ETHYL ESTER
- BRD-K26404903-001-01-5
- Q27271986
- Z53836330
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
240.30 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
3.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
240.115029749 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
240.115029749 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
26.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
248
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Gene Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NPPJLSILDPVHCM-UHFFFAOYSA-N
- BindingDBLICENSEAll data curated by BindingDB staff are provided under the Creative Commons Attribution 3.0 License (https://creativecommons.org/licenses/by/3.0/us/).https://www.bindingdb.org/rwd/bind/info.jsp
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Ethyl [1,1′-biphenyl]-4-acetatehttps://commonchemistry.cas.org/detail?cas_rn=14062-23-8
- ChemIDplusFelbinac ethyl [JAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0014062238ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxFelbinac ethylhttps://comptox.epa.gov/dashboard/DTXSID3046160CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingFELBINAC ETHYL ESTERhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/978ZPS989U
- ChEBI
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citingFelbinac ethylhttp://www.hmdb.ca/metabolites/HMDB0252187
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlAnatomical Therapeutic Chemical (ATC) classificationhttp://www.genome.jp/kegg-bin/get_htext?br08303.kegTarget-based classification of drugshttp://www.genome.jp/kegg-bin/get_htext?br08310.keg
- SpectraBaseFelbinac EThttps://spectrabase.com/spectrum/32htu6Mip6
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidatafelbinac ethyl esterhttps://www.wikidata.org/wiki/Q27271986
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html4-biphenylylacetic acid ethyl esterhttps://www.ncbi.nlm.nih.gov/mesh/67048480
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388595650https://pubchem.ncbi.nlm.nih.gov/substance/388595650
CONTENTS