1.0 2010-04-08 22:12:42 UTC 2019-11-26 03:13:52 UTC FDB016868 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one Constituent of the oil of turmeric (Curcuma longa). 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one is found in herbs and spices. C14H18O2 218.2915 218.13067982 2-(3-hydroxy-4-methylphenyl)-5-methylhex-4-en-3-one 2-(3-hydroxy-4-methylphenyl)-5-methylhex-4-en-3-one CC(C(=O)C=C(C)C)C1=CC=C(C)C(O)=C1 InChI=1S/C14H18O2/c1-9(2)7-14(16)11(4)12-6-5-10(3)13(15)8-12/h5-8,11,15H,1-4H3 WZHLEYQOLDOTEY-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Enones Hydrocarbon derivatives Ketones Monocyclic monoterpenoids Organic oxides Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acryloyl-group Alpha,beta-unsaturated ketone Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Enone Hydrocarbon derivative Ketone Monocyclic benzene moiety Monocyclic monoterpenoid O-cresol Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenol Toluene logp 3.00 ALOGPS logs -3.44 ALOGPS solubility 8.00e-02 g/l ALOGPS logp 4.08 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2-(3-hydroxy-4-methylphenyl)-5-methylhex-4-en-3-one ChemAxon average_mass 218.2915 ChemAxon mono_mass 218.13067982 ChemAxon smiles CC(C(=O)C=C(C)C)C1=CC=C(C)C(O)=C1 ChemAxon formula C14H18O2 ChemAxon inchi InChI=1S/C14H18O2/c1-9(2)7-14(16)11(4)12-6-5-10(3)13(15)8-12/h5-8,11,15H,1-4H3 ChemAxon inchikey WZHLEYQOLDOTEY-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 67.12 ChemAxon polarizability 24.94 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16553 Specdb::CMs 45520 Specdb::CMs 136037 Specdb::CMs 143771 Specdb::MsMs 108369 Specdb::MsMs 108370 Specdb::MsMs 108371 Specdb::MsMs 175572 Specdb::MsMs 175573 Specdb::MsMs 175574 Specdb::MsMs 2702688 Specdb::MsMs 2702689 Specdb::MsMs 2702690 Specdb::MsMs 3002212 Specdb::MsMs 3002213 Specdb::MsMs 3002214 HMDB37738 #<Reference:0x000055ce322f9378> Herbs and Spices Unknown generic