1.0 2026-09-22 03:16:24 UTC 2026-09-22 03:16:24 UTC FDB117602 triclosan 5-chloro-2-(2,4-dichlorophenoxy)phenol C12H7Cl3O2 289.542 287.951162589 5-chloro-2-(2,4-dichlorophenoxy)phenol triclosan OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1 InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H XEFQLINVKFYRCS-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. Diphenylethers Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Diarylethers Dichlorobenzenes Hydrocarbon derivatives M-chlorophenols Organochlorides Phenol ethers Phenoxy compounds 1,3-dichlorobenzene 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-chlorophenol 3-halophenol Aromatic homomonocyclic compound Aryl chloride Aryl halide Chlorobenzene Diaryl ether Diphenylether Ether Halobenzene Hydrocarbon derivative Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Phenol Phenol ether Phenoxy compound a small molecule aromatic ether dichlorobenzene monochlorobenzenes phenols logp 5.53 ALOGPS logs -4.68 ALOGPS solubility 6.05e-03 g/l ALOGPS logp 4.98 ChemAxon pka_strongest_acidic 7.68 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 5-chloro-2-(2,4-dichlorophenoxy)phenol ChemAxon average_mass 289.542 ChemAxon mono_mass 287.951162589 ChemAxon smiles OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1 ChemAxon formula C12H7Cl3O2 ChemAxon inchi InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H ChemAxon inchikey XEFQLINVKFYRCS-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 68.69 ChemAxon polarizability 25.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 774 Specdb::NmrOneD 294575 Specdb::NmrOneD 294576 Specdb::NmrOneD 294577 Specdb::NmrOneD 294578 Specdb::NmrOneD 294579 Specdb::NmrOneD 294580 Specdb::NmrOneD 294581 Specdb::NmrOneD 294582 Specdb::NmrOneD 294583 Specdb::NmrOneD 294584 Specdb::NmrOneD 294585 Specdb::NmrOneD 294586 Specdb::NmrOneD 294587 Specdb::NmrOneD 294588 Specdb::NmrOneD 294589 Specdb::NmrOneD 294590 Specdb::NmrOneD 294591 Specdb::NmrOneD 294592 Specdb::NmrOneD 294593 Specdb::NmrOneD 294594 Specdb::CMs 35076 Specdb::CMs 48674 Specdb::CMs 159334 Specdb::MsMs 88713 Specdb::MsMs 88714 Specdb::MsMs 88715 Specdb::MsMs 151500 Specdb::MsMs 151501 Specdb::MsMs 151502 Specdb::MsMs 436206 Specdb::MsMs 436207 Specdb::MsMs 436208 Specdb::MsMs 436209 Specdb::MsMs 436210 Specdb::MsMs 436211 Specdb::MsMs 439385 Specdb::MsMs 439386 Specdb::MsMs 440582 Specdb::MsMs 440634 Specdb::MsMs 2236292 Specdb::MsMs 2237114 Specdb::MsMs 2238350 Specdb::MsMs 2239214 Specdb::MsMs 2242463 Specdb::MsMs 2243378 Specdb::MsMs 2403833 Specdb::MsMs 2403834 Specdb::MsMs 2403835