{"ymdb_id":"YMDB01613","created_at":"2011-08-31T03:27:57.000Z","updated_at":"2016-09-08T18:36:54.000Z","name":"4-Allyl-2-methoxyphenol","cas":"97-53-0","state":"Solid","melting_point":"-9.1 oC","description":"Eugenol (4-allyl-2-methoxyphenol) is a phenylpropene, an allyl chain-substituted guaiacol found in plants. Eugenol is a phenylpropene, an allyl chain-substituted guaiacol. It is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil, nutmeg, cinnamon, basil and bay leaf. It has a spicy, clove-like aroma. [Biocyc PWY-5859]","experimental_water_solubility":"2.46 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"2.27 [SANGSTER (1993)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":"HMDB05809","kegg_id":"C10427","pubchem_id":"3314","cs_id":"13876103","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methoxy-4-(prop-2-en-1-yl)phenol","traditional_iupac":"eugenol","logp":"2.6105799616666663","pka":null,"alogps_solubility":"1.44e+00 g/l","alogps_logp":"2.66","alogps_logs":"-2.06","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"29.46","refractivity":"48.7894","polarizability":"17.896536620818402","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.892303223457161","pka_strongest_acidic":"9.941818320747016","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hydroxy-2-methoxy-4-allylbenzene","1-Hydroxy-2-methoxy-4-prop-2-enylbenzene","1-Hydroxy-2-methoxy-4-propenylbenzene","1,3,4-Eugenol","1'-Acetoxyeugenol acetate","2-Hydroxy-5-allylanisole","2-Methoxy-1-hydroxy-4-allylbenzene","2-Methoxy-4-(2-propenyl)phenol","2-Methoxy-4-(2-propenyl)phenyl","2-Methoxy-4-(3-propenyl)phenol","2-methoxy-4-(prop-2-en-1-yl)phenol","2-Methoxy-4-allylphenol","2-Methoxy-4-prop-2-enylphenol","2-Metoksy-4-allilofenol","4-(2-Propenyl)-2-methoxyphenol (eugenol)","4-(Acetyloxy)-alpha-ethenyl-3-methoxybenzenemethanol acetate","4-Allyl-1-hydroxy-2-methoxybenzene","4-allyl-2-methoxy-Phenol","4-allyl-2-methoxyphenol","4-allyl-2-methoxyphenol (eugenol)","4-Allyl-2-rnethoxyphenol (eugenol)","4-Allylcatechol 2-methyl ether","4-Allylcatechol-2-methyl ether","4-Allylguaiacol","4-Hydroxy-3-methoxy-1-allylbenzene","4-Hydroxy-3-methoxyallylbenzene","5-Allylguaiacol","Allylguaiacol","Caryophyllic acid","Engenol","Eugenic acid","Eugenol","Eugenol (2-Methoxy-4-(2-propenyl)phenol)","Eugenol (natural)","Eugenol [usan]","P-allylguaiacol","P-eugenol","Phenol, 2-methoxy-4-(2-propenyl)-","Phenol, 4-allyl-2-methoxy-","Synthetic eugenol"],"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":[]}