{"ymdb_id":"YMDB01677","created_at":"2011-08-31T03:34:41.000Z","updated_at":"2016-09-08T18:36:59.000Z","name":"E-4-Propenyl-2-methoxyphenol","cas":"5932-68-3","state":"Solid","melting_point":"33.5 oC","description":"Isoeugenol (4-Propenyl-2-methoxyphenol) is a phenylpropene, a propenyl-substituted guaiacol. A phenylpropanoid, it occurs in the essential oils of plants such as ylang-ylang. It has a spicy odor.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"50545","hmdb_id":null,"kegg_id":null,"pubchem_id":"332","cs_id":null,"foodb_id":null,"wikipedia_link":"Isoeugenol","biocyc_id":null,"iupac":"2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol","traditional_iupac":"isoeugenol","logp":"2.6353462913333328","pka":null,"alogps_solubility":"1.36e+00 g/l","alogps_logp":"2.79","alogps_logs":"-2.08","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"29.46","refractivity":"49.8619","polarizability":"18.29788150152988","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.8937792336789006","pka_strongest_acidic":"10.013922795139589","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["(E)-2-methoxy-4-(prop-1-enyl)phenol","(E)-Isoeugenol","2-methoxy-4-(1-propenyl)phenol","2-Methoxy-4-[(1E)-1-propenyl]phenol","4-(1-Propenyl)-2-methoxyphenol (trans-isoeugenol)","4-Vinylguaiacol","iso-Eugenol 2","Isoeugenol (E)","Isoeugenol (I)","Isoeugenol (II)","Isoeugenol E","Isoeugenol trans-form","Isoeugenol Z","Phenol, 2-methoxy-4-(1-propenyl)-, (E)-","Phenol, 2-methoxy-4-propenyl-, (E)-","trans-2-methoxy-4-(1-propenyl)phenol","trans-2-Methoxy-4-propenylphenol","trans-Isoeugenol","trans-p-Propenylquaiacol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}