Benzyl 3-hydroxyphenylacetate
PubChem CID
7016416
Structure
Molecular Formula
Synonyms
- 295320-25-1
- BENZYL 3-HYDROXYPHENYLACETATE
- benzyl 2-(3-hydroxyphenyl)acetate
- Benzeneacetic acid, 3-hydroxy-, phenylmethyl ester
- DTXSID70426834
Molecular Weight
242.27 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2006-07-29
- Modify:2025-01-11
Chemical Structure Depiction
benzyl 2-(3-hydroxyphenyl)acetate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H14O3/c16-14-8-4-7-13(9-14)10-15(17)18-11-12-5-2-1-3-6-12/h1-9,16H,10-11H2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
ALFOBMRIXXPJLQ-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C(C=C1)COC(=O)CC2=CC(=CC=C2)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H14O3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
295320-25-1
- 295320-25-1
- BENZYL 3-HYDROXYPHENYLACETATE
- benzyl 2-(3-hydroxyphenyl)acetate
- Benzeneacetic acid, 3-hydroxy-, phenylmethyl ester
- DTXSID70426834
- MFCD04039768
- SCHEMBL56760
- benzyl2-(3-hydroxyphenyl)acetate
- DTXCID00377668
- ALFOBMRIXXPJLQ-UHFFFAOYSA-N
- AKOS024318909
- AS-75808
- DB-415894
- (3-Hydroxy-phenyl)-acetic acid benzyl ester
- CS-0335995
- G65506
- W-202228
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
242.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
2.7
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
242.094294304 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
242.094294304 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
258
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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)
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
Alfa Aesar, Thermo Fisher Scientific
Catalog Number
B24679
Lot Number
J7939A
Copyright
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ALFOBMRIXXPJLQ-UHFFFAOYSA-N
- EPA DSSToxBENZYL 3-HYDROXYPHENYLACETATEhttps://comptox.epa.gov/dashboard/DTXSID70426834
- SpectraBaseBenzyl 3-hydroxyphenylacetatehttps://spectrabase.com/spectrum/IOnG0htQSHvBenzyl 3-hydroxyphenylacetatehttps://spectrabase.com/spectrum/9nzb3Gn0djJBenzyl 3-hydroxyphenylacetatehttps://spectrabase.com/spectrum/5f96job5YCq
- WikidataBENZYL 3-HYDROXYPHENYLACETATEhttps://www.wikidata.org/wiki/Q82239634
- PubChem
- PATENTSCOPE (WIPO)SID 390749526https://pubchem.ncbi.nlm.nih.gov/substance/390749526
CONTENTS