Molecule ID: 19539

IUPAC Name: 3-phenoxybenzoic acid

Description: The molecule is a phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite.

SMILES: O=C(O)c1cccc(Oc2ccccc2)c1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]

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)

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.9