1.0 2010-04-08 22:15:32 UTC 2019-11-26 03:20:02 UTC FDB021200 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone Constituent of Helichrysum subspecies Also found in hops 2-(2-Methylpropanoyl)-4-prenylphloroglucinol C15H20O4 264.3169 264.136159128 2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one 2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one 35932-36-6 CC(C)C(=O)C1=C(O)C=C(O)C(CC=C(C)C)=C1O InChI=1S/C15H20O4/c1-8(2)5-6-10-11(16)7-12(17)13(15(10)19)14(18)9(3)4/h5,7,9,16-17,19H,6H2,1-4H3 IOBXAMCSYCVNET-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acylphloroglucinols and derivatives Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Phenylpropanes Polyols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acylphloroglucinol derivative Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenetriol Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Phenylpropane Phloroglucinol derivative Polyol Vinylogous acid logp 2.79 ALOGPS logs -2.91 ALOGPS solubility 3.26e-01 g/l ALOGPS melting_point Mp 166° logp 4.89 ChemAxon pka_strongest_acidic 7.82 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC(C)C(=O)C1=C(O)C=C(O)C(CC=C(C)C)=C1O ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-8(2)5-6-10-11(16)7-12(17)13(15(10)19)14(18)9(3)4/h5,7,9,16-17,19H,6H2,1-4H3 ChemAxon inchikey IOBXAMCSYCVNET-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 75.85 ChemAxon polarizability 28.86 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22289 Specdb::CMs 47227 Specdb::CMs 157654 Specdb::MsMs 11357 Specdb::MsMs 11358 Specdb::MsMs 11359 Specdb::MsMs 18029 Specdb::MsMs 18030 Specdb::MsMs 18031 Specdb::MsMs 2772920 Specdb::MsMs 2772921 Specdb::MsMs 2772922 Specdb::MsMs 2909801 Specdb::MsMs 2909802 Specdb::MsMs 2909803 HMDB41284 #<Reference:0x000055ce326a7808> Alcoholic beverages Unknown generic