1.0 2010-04-08 22:13:31 UTC 2025-11-19 02:09:06 UTC FDB018120 (S)-Isosclerone Constituent of Juglans regia (walnut). (S)-Isosclerone is found in nuts. (4S)-4,8-Dihydroxy-alpha-tetralone C10H10O3 178.1846 178.062994186 4,8-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-one 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one 54712-38-8 OC1CCC(=O)C2=C1C=CC=C2O InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2 ZXYYTDCENDYKBR-UHFFFAOYSA-N belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Tetralins Organic compounds Benzenoids Tetralins Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl alkyl ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Tetralin Vinylogous acid logp 0.70 ALOGPS logs -1.11 ALOGPS solubility 1.39e+01 g/l ALOGPS melting_point Mp 74-76° (72°) logp 1.4 ChemAxon pka_strongest_acidic 9.8 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4,8-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-one ChemAxon average_mass 178.1846 ChemAxon mono_mass 178.062994186 ChemAxon smiles OC1CCC(=O)C2=C1C=CC=C2O ChemAxon formula C10H10O3 ChemAxon inchi InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2 ChemAxon inchikey ZXYYTDCENDYKBR-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 47.82 ChemAxon polarizability 17.82 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72555 Specdb::MsMs 72556 Specdb::MsMs 72557 Specdb::MsMs 131514 Specdb::MsMs 131515 Specdb::MsMs 131516 Specdb::MsMs 2762833 Specdb::MsMs 2762834 Specdb::MsMs 2762835 Specdb::MsMs 2946855 Specdb::MsMs 2946856 Specdb::MsMs 2946857 Specdb::CMs 12130 Specdb::CMs 46001 Specdb::CMs 155644 Specdb::MsIr 8012 Specdb::MsIr 8013 Specdb::MsIr 8014 Specdb::NmrOneD 28782 Specdb::NmrOneD 28783 Specdb::NmrOneD 28784 Specdb::NmrOneD 28785 Specdb::NmrOneD 28786 Specdb::NmrOneD 28787 Specdb::NmrOneD 28788 Specdb::NmrOneD 28789 Specdb::NmrOneD 28790 Specdb::NmrOneD 28791 Specdb::NmrOneD 28792 Specdb::NmrOneD 28793 Specdb::NmrOneD 28794 Specdb::NmrOneD 28795 Specdb::NmrOneD 28796 Specdb::NmrOneD 28797 Specdb::NmrOneD 28798 Specdb::NmrOneD 28799 Specdb::NmrOneD 28800 Specdb::NmrOneD 28801 HMDB38712 #<Reference:0x000055ce32436290> Nuts Unknown generic