1.0 2010-04-08 22:15:38 UTC 2019-11-26 03:20:15 UTC FDB021347 Bancroftinone Isolated from clove oil. Bancroftinone is found in herbs and spices. 6'-Hydroxy-2',4'-dimethoxy-3'-methylacetophenone Bancroftinone C11H14O4 210.2265 210.089208936 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethan-1-one 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone 14964-98-8 COC1=C(C)C(OC)=C(C(C)=O)C(O)=C1 InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3 DUTVTRPNMVUOIS-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 Acetophenones Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzoyl derivatives Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Organic oxides Para cresols Phenoxy compounds Toluenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Acetophenone Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide P-cresol Phenol Phenol ether Phenoxy compound Toluene Vinylogous acid logp 1.99 ALOGPS logs -2.27 ALOGPS solubility 1.12e+00 g/l ALOGPS melting_point Mp 44-45° logp 2.08 ChemAxon pka_strongest_acidic 10.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethan-1-one ChemAxon average_mass 210.2265 ChemAxon mono_mass 210.089208936 ChemAxon smiles COC1=C(C)C(OC)=C(C(C)=O)C(O)=C1 ChemAxon formula C11H14O4 ChemAxon inchi InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3 ChemAxon inchikey DUTVTRPNMVUOIS-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 56.41 ChemAxon polarizability 21.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9219 Specdb::MsIr 9220 Specdb::MsIr 9221 Specdb::CMs 18687 Specdb::CMs 47299 Specdb::CMs 165578 Specdb::MsMs 307492 Specdb::MsMs 307493 Specdb::MsMs 307494 Specdb::MsMs 351457 Specdb::MsMs 351458 Specdb::MsMs 351459 Specdb::MsMs 2351575 Specdb::MsMs 2351576 Specdb::MsMs 2351577 Specdb::MsMs 2584208 Specdb::MsMs 2584209 Specdb::MsMs 2584210 HMDB41406 #<Reference:0x000055ce333ed918> Herbs and Spices Unknown generic