3-phenoxybenzoic acid (CHEBI:72631)

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ChEBI Name	3-phenoxybenzoic acid

ChEBI ID	CHEBI:72631

Definition	A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H10O3

Net Charge

Average Mass

214.21670

Monoisotopic Mass

214.06299

InChI

InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)

InChIKey

NXTDJHZGHOFSQG-UHFFFAOYSA-N

SMILES

OC(=O)c1cccc(Oc2ccccc2)c1

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):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	3-phenoxybenzoic acid (CHEBI:72631) has role human xenobiotic metabolite (CHEBI:76967) 3-phenoxybenzoic acid (CHEBI:72631) has role marine xenobiotic metabolite (CHEBI:83399) 3-phenoxybenzoic acid (CHEBI:72631) is a phenoxybenzoic acid (CHEBI:72633)

IUPAC Name

3-phenoxybenzoic acid

Synonyms	Sources
3-carboxybiphenyl ether	ChEBI
3-carboxydiphenyl ether	ChEBI
3-PhOC₆H₄CO₂H	ChEBI
3-PhOC₆H₄COOH	ChEBI
diphenyl ether 3-carboxylic acid	ChEBI
m-carboxydiphenyl ether	ChEBI
m-phenoxybenzoic acid	ChEBI
meta-phenoxybenzoic acid	ChEBI

Last Modified

10 November 2014