{"ymdb_id":"YMDB01447","created_at":"2011-07-25T20:38:56.000Z","updated_at":"2016-09-08T18:36:41.000Z","name":"2-thiophenemethanol","cas":"636-72-6","state":"Solid","melting_point":null,"description":"Volatile aroma compound found in yeast extracts","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"0.87 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"69467","cs_id":"62674","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(thiophen-2-yl)methanol","traditional_iupac":"2-hydroxymethylthiophene","logp":"1.1187774216666666","pka":null,"alogps_solubility":"2.12e+00 g/l","alogps_logp":"0.96","alogps_logs":"-1.73","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"29.7638","polarizability":"11.559297715443586","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.0088399515450623","pka_strongest_acidic":"14.5197989219363","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-(Hydroxymethyl)thiophene","2-Hydroxymethylthiophene","2-Thenyl alcohol","2-Thienylmethanol","2-Thiophenecarbinol","Thiophene-2-methanol","Thiophene, 2-(hydroxymethyl)-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."}],"proteins":[]}