2,4-Diphenyl-1-butene
PubChem CID
519286
Structure
Molecular Formula
Synonyms
- 2,4-Diphenyl-1-butene
- 16606-47-6
- 3-phenylbut-3-enylbenzene
- 2,4-DIPHENYL-1-BUTENE-D5
- 1-Butene, 2,4-diphenyl-
Molecular Weight
208.30 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2024-12-28
Description
2,4-Diphenyl-1-butene is an aromatic compound.
2,4-Diphenyl-1-butene has been reported in Begonia nantoensis with data available.
Chemical Structure Depiction
3-phenylbut-3-enylbenzene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H16/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11H,1,12-13H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PWSZACWUDDFZMQ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C=C(CCC1=CC=CC=C1)C2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C16H16
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2,4-Diphenyl-1-butene
- 16606-47-6
- 3-phenylbut-3-enylbenzene
- 2,4-DIPHENYL-1-BUTENE-D5
- 1-Butene, 2,4-diphenyl-
- but-3-ene-1,3-diyldibenzene
- Benzene, 1,1'-(1-methylene-1,3-propanediyl)bis-
- [1-(2-Phenylethyl)vinyl]benzene
- 557SU9B24T
- alpha-Phenethylstyrene
- UNII-557SU9B24T
- 1-phenethylvinylbenzene
- 1-Butene, 2,4-diphenyl
- BIDD:ER0387
- SD-2
- .ALPHA.-PHENETHYLSTYRENE
- CHEBI:34243
- DTXSID50168068
- PWSZACWUDDFZMQ-UHFFFAOYSA-N
- (3-phenylbut-3-en-1-yl)benzene
- 1,1'-(1-Methylene-1,3-propanediyl)bisbenzene, 9CI
- Q27115936
- 2-(2-Isopropylphenyl)-2,3-dihydro-1,4-phthalazinedione
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
208.30 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
5.2
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
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
208.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
208.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
204
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)
Standard non-polar
1666, 1710, 1691, 1670, 1702
Semi-standard non-polar
1706, 1706
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 Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Membrane
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PWSZACWUDDFZMQ-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- 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/4.0/2,4-Diphenyl-1-butenehttps://commonchemistry.cas.org/detail?cas_rn=16606-47-6
- ChemIDplus2,4-Diphenyl-1-butenehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0016606476ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2,4-Diphenyl-1-butenehttps://comptox.epa.gov/dashboard/DTXSID50168068CompTox 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#linking2,4-DIPHENYL-1-BUTENEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/557SU9B24T
- 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/citing2,4-Diphenyl-1-butenehttp://www.hmdb.ca/metabolites/HMDB0032563
- ChEBI2,4-Diphenyl-1-butenehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34243
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/2,4-Diphenyl-1-butenehttps://www.wikidata.org/wiki/Q27115936LOTUS Treehttps://lotus.naturalproducts.net/
- 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.html
- Metabolomics Workbench2,4-Diphenyl-1-butenehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45608
- Nature Chemistry
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1-Butene, 2,4-diphenylhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseBENZENE, 1,1'-(1-METHYLENE-1,3-PROPANEDIYL)BIS-https://spectrabase.com/spectrum/Ket7QCI1p622,4-Diphenyl-1-butenehttps://spectrabase.com/spectrum/JU3ljy4xHqK2,4-Diphenyl-1-butenehttps://spectrabase.com/spectrum/BF10TfeHUvu
- 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/
- Wikidata2,4-diphenyl-1-butenehttps://www.wikidata.org/wiki/Q27115936
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388732644https://pubchem.ncbi.nlm.nih.gov/substance/388732644
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