3-phenoxybenzoic acid

Synonyms: "m-phenoxybenzoic acid", "3-carboxydiphenyl ether"

Source: 3-phenoxybenzoic acid is a metabolite of pyrethroid pesticides.


IUPAC Name: 3-phenoxybenzoic acid
CAS Number: 3739-38-6
PubChem ID: 19539
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O

Structural Properties:

Molecular Formula: C13H10O3
Molecular Weight: 214,2167

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Du G, Shen O, Sun H, Fei J, Lu C, Song L, Xia Y, Wang S, Wang X. 2010. Assessing hormone receptor activities of pyrethroid insecticides and their metabolites in reporter gene assays. Toxicol Sci 116(1):58-66.

External Links




Jmol viewer