1.0 2010-04-08 22:15:01 UTC 2019-11-26 03:18:56 UTC FDB020438 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone Constituent of Carissa edulis (agam). 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is found in fruits. 2-(Hydroxyethyl) 4-hydroxyphenyl ketone 2-(p-Hydroxybenzoyl)ethanol 3,4'-Dihydroxypropiophenone 4-(3-Hydroxypropionyl)phenol C9H10O3 166.1739 166.062994186 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one 53170-93-7 OCCC(=O)C1=CC=C(O)C=C1 InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 LTEPZFZSPZASKJ-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 Aryl alkyl ketones Benzoyl derivatives Beta-hydroxy ketones Hydrocarbon derivatives Organic oxides Primary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Beta-hydroxy ketone Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Primary alcohol logp 0.74 ALOGPS logs -1.54 ALOGPS solubility 4.77e+00 g/l ALOGPS melting_point Mp 142-143° logp 0.65 ChemAxon pka_strongest_acidic 7.77 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles OCCC(=O)C1=CC=C(O)C=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2 ChemAxon inchikey LTEPZFZSPZASKJ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 44.84 ChemAxon polarizability 16.93 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9057 Specdb::MsIr 9058 Specdb::MsIr 9059 Specdb::CMs 17396 Specdb::CMs 46881 Specdb::CMs 161013 Specdb::NmrOneD 42502 Specdb::NmrOneD 42503 Specdb::NmrOneD 42504 Specdb::NmrOneD 42505 Specdb::NmrOneD 42506 Specdb::NmrOneD 42507 Specdb::NmrOneD 42508 Specdb::NmrOneD 42509 Specdb::NmrOneD 42510 Specdb::NmrOneD 42511 Specdb::NmrOneD 42512 Specdb::NmrOneD 42513 Specdb::NmrOneD 42514 Specdb::NmrOneD 42515 Specdb::NmrOneD 42516 Specdb::NmrOneD 42517 Specdb::NmrOneD 42518 Specdb::NmrOneD 42519 Specdb::NmrOneD 42520 Specdb::NmrOneD 42521 Specdb::MsMs 304447 Specdb::MsMs 304448 Specdb::MsMs 304449 Specdb::MsMs 347665 Specdb::MsMs 347666 Specdb::MsMs 347667 Specdb::MsMs 2292531 Specdb::MsMs 2292532 Specdb::MsMs 2292533 Specdb::MsMs 2646690 Specdb::MsMs 2646691 Specdb::MsMs 2646692 HMDB40645 #<Reference:0x000055ce32221928> Fruits Unknown generic