EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41967 - diphenylacetic acid

ChEBI IDCHEBI:41967
ChEBI Namediphenylacetic acid
Stars
DefinitionA monocarboxylic acid that is acetic acid where the methyl hydrogens have been replaced by two phenyl groups respectively.
Last Modified16 July 2015
DownloadsMolfile
FormulaC14H12O2
Net Charge0
Average Mass212.248
Monoisotopic Mass212.08373
SMILESO=C(O)C(c1ccccc1)c1ccccc1
InChIInChI=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)
InChIKeyPYHXGXCGESYPCW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
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  Source
diphenylethanoic acidChemIDplus
2,2-diphenylacetic acidChEBI
α-phenylbenzeneacetic acidChEBI
Manual XrefsDatabases
DFAPDBeChem
DB03588DrugBank
Registry NumbersSources
Reaxys:1910978Reaxys
CAS:117-34-0ChemIDplus
Citations