{"ymdb_id":"YMDB16055","created_at":"2016-08-03T23:52:30.000Z","updated_at":"2016-09-12T20:56:03.000Z","name":"O-Cresol","cas":null,"state":"Solid","melting_point":null,"description":"O-Cresol belongs to the class of chemical entities known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methylphenol","traditional_iupac":"o-cresol","logp":"2.1831018836666667","pka":null,"alogps_solubility":"2.75e+01 g/l","alogps_logp":"1.89","alogps_logs":"-0.59","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"33.0801","polarizability":"11.831786386924053","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.462420484988653","pka_strongest_acidic":"10.37449852812061","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}