CHEBI:41967 - diphenylacetic acid

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ChEBI Name diphenylacetic acid
ChEBI ID CHEBI:41967
Definition A monocarboxylic acid that is acetic acid where the methyl hydrogens have been replaced by two phenyl groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H12O2
Net Charge 0
Average Mass 212.24390
Monoisotopic Mass 212.08373
InChI InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKey PYHXGXCGESYPCW-UHFFFAOYSA-N
SMILES OC(=O)C(c1ccccc1)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing diphenylacetic acid (CHEBI:41967) has functional parent acetic acid (CHEBI:15366)
diphenylacetic acid (CHEBI:41967) has role xenobiotic metabolite (CHEBI:76206)
diphenylacetic acid (CHEBI:41967) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
diphenylacetic acid
Synonyms Sources
2,2-diphenylacetic acid ChEBI
α-phenylbenzeneacetic acid ChEBI
diphenylethanoic acid ChemIDplus
Manual Xrefs Databases
DB03588 DrugBank
DFA PDBeChem
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Registry Numbers Types Sources
117-34-0 CAS Registry Number ChemIDplus
1910978 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
414462 PubMed citation Europe PMC
6128832 PubMed citation Europe PMC
Last Modified
16 July 2015