1.02010-04-08 22:15:19 UTC2019-11-26 03:19:34 UTCFDB0208661'-AcetoxychavicolConstituent of Acorus calamus (sweet flag). 1'-Acetoxychavicol is found in herbs and spices and root vegetables.(AlphaS)-4-(acetyloxy)-a-ethenylbenzenemethanol(AlphaS)-4-(acetyloxy)-α-ethenylbenzenemethanol1'-Acetoxychavicol1'-Acetoxychavicol acetic acidC13H14O4234.2479234.089208936(1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate1'-acetoxychavicol acetate151986-17-3CC(=O)O[C@@H](C=C)C1=CC=C(OC(C)=O)C=C1InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1JAMQIUWGGBSIKZ-ZDUSSCGKSA-N belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.Phenol estersOrganic compoundsBenzenoidsPhenol estersAromatic homomonocyclic compoundsBenzyloxycarbonylsCarbonyl compoundsCarboxylic acid estersDicarboxylic acids and derivativesHydrocarbon derivativesOrganic oxidesPhenoxy compoundsAromatic homomonocyclic compoundBenzyloxycarbonylCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDicarboxylic acid or derivativesHydrocarbon derivativeMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenol esterPhenoxy compoundMonolignolsacetate esterphenylpropanoidlogp2.58logs-3.31solubility1.15e-01 g/llogp2.05pka_strongest_basic-6.8iupac(1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetateaverage_mass234.2479mono_mass234.089208936smilesCC(=O)O[C@@H](C=C)C1=CC=C(OC(C)=O)C=C1formulaC13H14O4inchiInChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1inchikeyJAMQIUWGGBSIKZ-ZDUSSCGKSA-Npolar_surface_area52.6refractivity61.99polarizability24.06rotatable_bond_count6acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs11738Specdb::CMs156526Specdb::MsMs331942Specdb::MsMs331943Specdb::MsMs331944Specdb::MsMs2786677Specdb::MsMs2786678Specdb::MsMs2786679Specdb::MsMs291910Specdb::MsMs291911Specdb::MsMs291912Specdb::MsMs2918516Specdb::MsMs2918517Specdb::MsMs2918518HMDB41006#<Reference:0x0000555675c07a30>Herbs and SpicesUnknowngenericRoot vegetablesUnknowngeneric