1.0 2010-04-08 22:09:43 UTC 2018-05-28 22:52:01 UTC FDB011570 Citreovirenone Mycotoxin production by the rice storage mould Penicillium citreo-viride B. C14H16O4 248.2744 248.104859 6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-pyran-4-one 2-[(3-hydroxy-5-methoxyphenyl)methyl]-6-methyl-5,6-dihydropyran-4-one 103955-68-6 COC1=CC(CC2=CC(=O)CC(C)O2)=CC(O)=C1 InChI=1S/C14H16O4/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3 WMCPLZDBHVOXCJ-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Cyclic ketones Dihydropyranones Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Carbonyl group Cyclic ketone Dihydropyranone Ether Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Vinylogous ester logp 2.40 ALOGPS logs -3.01 ALOGPS solubility 2.41e-01 g/l ALOGPS logp 2.01 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 6-[(3-hydroxy-5-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-pyran-4-one ChemAxon average_mass 248.2744 ChemAxon mono_mass 248.104859 ChemAxon smiles COC1=CC(CC2=CC(=O)CC(C)O2)=CC(O)=C1 ChemAxon formula C14H16O4 ChemAxon inchi InChI=1S/C14H16O4/c1-9-3-11(15)8-14(18-9)6-10-4-12(16)7-13(5-10)17-2/h4-5,7-9,16H,3,6H2,1-2H3 ChemAxon inchikey WMCPLZDBHVOXCJ-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 69.01 ChemAxon polarizability 25.84 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25694 Specdb::CMs 43338 Specdb::CMs 136655 Specdb::CMs 144389 Specdb::MsMs 8240 Specdb::MsMs 8241 Specdb::MsMs 8242 Specdb::MsMs 14912 Specdb::MsMs 14913 Specdb::MsMs 14914 Specdb::MsMs 2772533 Specdb::MsMs 2772534 Specdb::MsMs 2772535 Specdb::MsMs 2909342 Specdb::MsMs 2909343 Specdb::MsMs 2909344 HMDB33515 #<Reference:0x000055ce325ec5f8>