{"ymdb_id":"YMDB15954","created_at":"2016-08-03T23:49:44.000Z","updated_at":"2016-09-11T18:50:48.000Z","name":"4-Ethyl phenol","cas":null,"state":null,"melting_point":null,"description":"4-Ethyl phenol belongs to the class of chemical entities known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.","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":"4-ethylphenol","traditional_iupac":"ethylphenol","logp":"2.627670548666667","pka":null,"alogps_solubility":"6.15e+00 g/l","alogps_logp":"2.54","alogps_logs":"-1.30","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"37.6811","polarizability":"13.85867636702929","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-5.439522161866621","pka_strongest_acidic":"10.319334469148892","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":[]}