1.0 2010-04-08 22:07:05 UTC 2025-11-18 23:01:33 UTC FDB006316 Halleridone Halleridone is a member of the class of compounds known as benzofurans. Benzofurans are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Halleridone is soluble (in water) and a very weakly acidic compound (based on its pKa). Halleridone can be found in olive, which makes halleridone a potential biomarker for the consumption of this food product. 6(2H)-Benzofuranone, 3,3a,7,7a-tetrahydro-3a-hydroxy- Rengyolone C8H10O3 154.1632 154.062994186 3a-hydroxy-2,3,3a,6,7,7a-hexahydro-1-benzofuran-6-one 3a-hydroxy-2,3,7,7a-tetrahydro-1-benzofuran-6-one OC12CCOC1CC(=O)C=C2 InChI=1S/C8H10O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h1-2,7,10H,3-5H2 HSGPAWIMHOPPDA-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzofurans Organic compounds Organoheterocyclic compounds Benzofurans Aliphatic heteropolycyclic compounds Cyclohexenones Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Benzofuran Carbonyl group Cyclic ketone Cyclohexenone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tertiary alcohol Tetrahydrofuran logp -0.83 ALOGPS logs -0.05 ALOGPS solubility 1.37e+02 g/l ALOGPS logp -0.21 ChemAxon pka_strongest_acidic 13.31 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3a-hydroxy-2,3,3a,6,7,7a-hexahydro-1-benzofuran-6-one ChemAxon average_mass 154.1632 ChemAxon mono_mass 154.062994186 ChemAxon smiles OC12CCOC1CC(=O)C=C2 ChemAxon formula C8H10O3 ChemAxon inchi InChI=1S/C8H10O3/c9-6-1-2-8(10)3-4-11-7(8)5-6/h1-2,7,10H,3-5H2 ChemAxon inchikey HSGPAWIMHOPPDA-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 39.6 ChemAxon polarizability 14.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93264 Specdb::MsMs 93265 Specdb::MsMs 93266 Specdb::MsMs 157005 Specdb::MsMs 157006 Specdb::MsMs 157007 Specdb::MsMs 3602789 Specdb::MsMs 3602790 Specdb::MsMs 3602791 Specdb::MsMs 3604001 Specdb::MsMs 3604002 Specdb::MsMs 3604003 Olive Type 1 specific Olea europaea 4146