1.0 2020-03-10 17:01:43 UTC 2020-04-22 18:56:15 UTC BMDB0096132 BMDB96132 3-Phenoxybenzoic acid 3-Carboxybiphenyl ether 3-Carboxydiphenyl ether 3-PHOC6H4CO2H 3-PHOC6H4COOH Diphenyl ether 3-carboxylic acid m-Carboxydiphenyl ether m-Phenoxybenzoic acid Meta-phenoxybenzoic acid Diphenyl ether 3-carboxylate m-Phenoxybenzoate Meta-phenoxybenzoate 3-Phenoxybenzoate m-(Phenyloxy)benzoic acid 3-PBA C13H10O3 214.2167 214.062994186 3-phenoxybenzoic acid M-phenoxybenzoic acid 3739-38-6 OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 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) NXTDJHZGHOFSQG-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Diphenylethers Benzoic acids Benzoyl derivatives Carboxylic acids Diarylethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenol ethers Phenoxy compounds Aromatic homomonocyclic compound Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Diaryl ether Diphenylether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Aromatic homomonocyclic compounds phenoxybenzoic acid logp 3.41 ALOGPS logs -3.24 ALOGPS logp 3.13 ChemAxon pka_strongest_acidic 3.82 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-phenoxybenzoic acid ChemAxon average_mass 214.2167 ChemAxon mono_mass 214.062994186 ChemAxon smiles OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1 ChemAxon formula C13H10O3 ChemAxon 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) ChemAxon inchikey NXTDJHZGHOFSQG-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 59.56 ChemAxon polarizability 21.52 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 23422 Specdb::CMs 47567 Specdb::CMs 160816 Specdb::MsMs 68430 Specdb::MsMs 68431 Specdb::MsMs 68432 Specdb::MsMs 126459 Specdb::MsMs 126460 Specdb::MsMs 126461 Specdb::MsMs 435410 Specdb::MsMs 435757 Specdb::MsMs 435758 Specdb::MsMs 435759 Specdb::MsMs 435760 Specdb::MsMs 435761 Specdb::MsMs 435762 Specdb::MsMs 435763 Specdb::MsMs 435764 Specdb::MsMs 435765 Specdb::MsMs 435766 Specdb::MsMs 435767 Specdb::MsMs 435768 Specdb::MsMs 435769 Specdb::MsMs 435770 Specdb::MsMs 442115 Specdb::MsMs 442116 Specdb::MsMs 442117 Specdb::MsMs 2226944 18409 FDB111667 19539 72631