1.0 2020-03-10 17:01:32 UTC 2020-04-22 18:56:11 UTC BMDB0096121 BMDB96121 5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone 5'-(3'-Methoxy-4'-hydroxyphenyl)-g-valerolactone 5'-(3'-Methoxy-4'-hydroxyphenyl)-γ-valerolactone 3-Methoxy-4-hydroxyphenylvalerolactone 5-(3'-Methoxy-4'-hydroxyphenyl)-g-valerolactone 5-(3'-Methoxy-4'-hydroxyphenyl)-γ-valerolactone C12H14O4 222.2372 222.089208936 5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one 5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one COC1=C(O)C=CC(CC2CCC(=O)O2)=C1 InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3 GCIFEQYZDROELP-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. Organic compounds Benzenoids Phenols Methoxyphenols Methoxyphenols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Ether Gamma butyrolactone Hydrocarbon derivative Lactone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Tetrahydrofuran Aromatic heteromonocyclic compounds logp 1.75 ALOGPS logs -2.46 ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 9.94 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one ChemAxon average_mass 222.2372 ChemAxon mono_mass 222.089208936 ChemAxon smiles COC1=C(O)C=CC(CC2CCC(=O)O2)=C1 ChemAxon formula C12H14O4 ChemAxon inchi InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3 ChemAxon inchikey GCIFEQYZDROELP-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 57.79 ChemAxon polarizability 22.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 310114 Specdb::MsMs 310115 Specdb::MsMs 310116 Specdb::MsMs 354709 Specdb::MsMs 354710 Specdb::MsMs 354711 Specdb::MsMs 2266788 Specdb::MsMs 2266789 Specdb::MsMs 2266790 Specdb::MsMs 3076017 Specdb::MsMs 3076018 Specdb::MsMs 3076019 Specdb::CMs 19807 Specdb::CMs 41206 Specdb::CMs 132342 Specdb::CMs 140076 FDB029858 2293832 3028410 979 165227