2.0 2015-06-04 17:13:00 -0600 2015-08-05 16:22:04 -0600 ECMDB23832 M2MDB004676 Phenol An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols Acide carbolique Anbesol Benzenol Benzophenol campho-Phenique cold sore gel campho-Phenique gel campho-Phenique liquid Carbolate Carbolate liquid Carbolic acid Carbolic acid liquid Carbolic oil Carbolicum acidum Carbolsaure Cepastat lozenges Cuticura pain relieving ointment Fenol Fenolo Fenosmolin Fenosmoline Hydroxy-benzene Hydroxybenzene IPH IZAL Liquefied phenol Liquid phenol Liquified phenol Monohydroxy benzene Monohydroxybenzene Monophenol Oxybenzene Paoscle Phenate Phenic Phenic acid Phenic alcohol Phenol alcohol Phenol for disinfection Phenol homopolymer Phenol liquid Phenol molten Phenol polymer-bound Phenol solution Phenol synthetic Phenol, liquefied Phenolated water Phenolated water for disinfection Phenole Phenosmolin Phenylate Phenylic acid Phenylic alcohol PHOH Synthetic phenol Tea polyphenol C6H6O 94.1112 94.041864814 phenol phenol 108-95-2 OC1=CC=CC=C1 InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H ISWSIDIOOBJBQZ-UHFFFAOYSA-N logp 1.39 ALOGPS logs -0.31 ALOGPS solubility 4.66e+01 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 10.02 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac phenol ChemAxon average_mass 94.1112 ChemAxon mono_mass 94.041864814 ChemAxon smiles OC1=CC=CC=C1 ChemAxon formula C6H6O ChemAxon inchi InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H ChemAxon inchikey ISWSIDIOOBJBQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 28.04 ChemAxon polarizability 9.81 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Sphingolipid metabolism ec00600 Steroid hormone biosynthesis ec00140 Specdb::CMs 906 Specdb::CMs 2485 Specdb::CMs 26987 Specdb::CMs 27505 Specdb::CMs 27676 Specdb::CMs 27768 Specdb::CMs 29293 Specdb::CMs 29483 Specdb::CMs 31090 Specdb::CMs 37372 Specdb::CMs 146064 Specdb::EiMs 1214 Specdb::NmrOneD 1242 Specdb::NmrOneD 2129 Specdb::NmrOneD 3448 Specdb::MsMs 379 Specdb::MsMs 380 Specdb::MsMs 381 Specdb::MsMs 3677 Specdb::MsMs 3678 Specdb::MsMs 3679 Specdb::MsMs 3680 Specdb::MsMs 3681 Specdb::MsMs 178257 Specdb::MsMs 178258 Specdb::MsMs 178259 Specdb::MsMs 180573 Specdb::MsMs 180574 Specdb::MsMs 180575 Specdb::MsMs 2248737 Specdb::MsMs 2249628 Specdb::MsMs 2251609 Specdb::MsMs 2844332 Specdb::MsMs 2844333 Specdb::MsMs 2844334 Specdb::MsMs 2861740 Specdb::MsMs 2861741 Specdb::MsMs 2861742 Specdb::NmrTwoD 1223 C15584 predicted 2Fe-2S cluster-containing protein P0ABR7 yeaW http://ecmdb.ca/proteins/P0ABR7.xml Aryl sulfate + Water <> Phenol + Sulfate R01243