1.0 2010-04-08 22:04:43 UTC 2015-07-20 21:34:52 UTC FDB000831 2,4'-Dihydroxyacetophenone Potential component of FEMA 3662. Flavouring ingredient 2-Hydroxy-1-(4-hydroxyphenyl)ethanone, 9CI 4-Hydroxyphenacyl alcohol Hydroxymethyl p-hydroxyphenyl ketone p-Hydroxybenzoylcarbinol p-Hydroxyphenacyl alcohol C8H8O3 152.1473 152.047344122 2-hydroxy-1-(4-hydroxyphenyl)ethan-1-one 2,4-dihydroxyacetophenone 5706-85-4 OCC(=O)C1=CC=C(O)C=C1 InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2 KLAKIAVEMQMVBT-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 Alpha-hydroxy ketones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Organic oxides Primary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl-phenylketone Alpha-hydroxy ketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Primary alcohol a small molecule dihydroxyacetophenone phenols logp 0.65 ALOGPS logs -1.13 ALOGPS solubility 1.13e+01 g/l ALOGPS logp 0.41 ChemAxon pka_strongest_acidic 7.69 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-hydroxy-1-(4-hydroxyphenyl)ethan-1-one ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles OCC(=O)C1=CC=C(O)C=C1 ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2 ChemAxon inchikey KLAKIAVEMQMVBT-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.14 ChemAxon polarizability 14.94 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17250 Specdb::CMs 41498 Specdb::CMs 146499 Specdb::MsIr 3546 Specdb::MsIr 3547 Specdb::MsIr 3548 Specdb::MsMs 7640 Specdb::MsMs 7641 Specdb::MsMs 7642 Specdb::MsMs 14312 Specdb::MsMs 14313 Specdb::MsMs 14314 Specdb::MsMs 2721756 Specdb::MsMs 2721757 Specdb::MsMs 2721758 Specdb::MsMs 2960919 Specdb::MsMs 2960920 Specdb::MsMs 2960921 Specdb::NmrOneD 109918 Specdb::NmrOneD 109919 Specdb::NmrOneD 109920 Specdb::NmrOneD 109921 Specdb::NmrOneD 109922 Specdb::NmrOneD 109923 Specdb::NmrOneD 109924 Specdb::NmrOneD 109925 Specdb::NmrOneD 109926 Specdb::NmrOneD 109927 Specdb::NmrOneD 109928 Specdb::NmrOneD 109929 Specdb::NmrOneD 109930 Specdb::NmrOneD 109931 Specdb::NmrOneD 109932 Specdb::NmrOneD 109933 Specdb::NmrOneD 109934 Specdb::NmrOneD 109935 Specdb::NmrOneD 109936 Specdb::NmrOneD 109937 HMDB29657 35164 #<Reference:0x000055ce326374b8>