1.0 2010-04-08 22:10:51 UTC 2019-11-26 03:08:51 UTC FDB013678 1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol Constituent of fennel (Foeniculum vulgare). 1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol is found in herbs and spices. 1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol C9H12O4 184.1892 184.073558872 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol 213466-88-7 COC1=C(O)C=C(C=C1)C(O)CO InChI=1S/C9H12O4/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,10-12H,5H2,1H3 FBDKAIYPFAFJHV-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aromatic alcohols Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Primary alcohols Secondary alcohols 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Primary alcohol Secondary alcohol logp -0.33 ALOGPS logs -1.28 ALOGPS solubility 9.67e+00 g/l ALOGPS melting_point Mp 97-98° (synthetic) logp 0.11 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol ChemAxon average_mass 184.1892 ChemAxon mono_mass 184.073558872 ChemAxon smiles COC1=C(O)C=C(C=C1)C(O)CO ChemAxon formula C9H12O4 ChemAxon inchi InChI=1S/C9H12O4/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,10-12H,5H2,1H3 ChemAxon inchikey FBDKAIYPFAFJHV-UHFFFAOYSA-N ChemAxon polar_surface_area 69.92 ChemAxon refractivity 47.28 ChemAxon polarizability 18.48 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6784 Specdb::MsIr 6785 Specdb::CMs 24410 Specdb::CMs 44165 Specdb::CMs 166070 Specdb::NmrOneD 129858 Specdb::NmrOneD 129859 Specdb::NmrOneD 129860 Specdb::NmrOneD 129861 Specdb::NmrOneD 129862 Specdb::NmrOneD 129863 Specdb::NmrOneD 129864 Specdb::NmrOneD 129865 Specdb::NmrOneD 129866 Specdb::NmrOneD 129867 Specdb::NmrOneD 129868 Specdb::NmrOneD 129869 Specdb::NmrOneD 129870 Specdb::NmrOneD 129871 Specdb::NmrOneD 129872 Specdb::NmrOneD 129873 Specdb::NmrOneD 129874 Specdb::NmrOneD 129875 Specdb::NmrOneD 129876 Specdb::NmrOneD 129877 Specdb::MsMs 97296 Specdb::MsMs 97297 Specdb::MsMs 97298 Specdb::MsMs 161988 Specdb::MsMs 161989 Specdb::MsMs 161990 Specdb::MsMs 3041959 Specdb::MsMs 3041960 Specdb::MsMs 3041961 Specdb::MsMs 3098248 Specdb::MsMs 3098249 Specdb::MsMs 3098250 HMDB35056 #<Reference:0x000055ce305dcf38> Herbs and Spices Unknown generic