{"ymdb_id":"YMDB15958","created_at":"2016-08-03T23:49:49.000Z","updated_at":"2016-09-10T00:52:01.000Z","name":"6-Ethyl-o-cresol","cas":null,"state":null,"melting_point":null,"description":"6-Ethyl-o-cresol belongs to the family of 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-ethyl-6-methylphenol","traditional_iupac":"2-ethyl-6-methylphenol","logp":"3.1410919379999998","pka":null,"alogps_solubility":"2.18e+00 g/l","alogps_logp":"2.83","alogps_logs":"-1.80","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"42.722300000000004","polarizability":"15.771405114759773","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.456700831940823","pka_strongest_acidic":"10.669783104325719","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":[]}