1.0 2010-04-08 22:15:37 UTC 2025-11-19 02:36:41 UTC FDB021310 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one Isolated from the mushroom Lentinus crinitus (palatability uncertain). 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms. 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one 3-Hydroxy-6-methoxy-2,2-dimethyl-4-chromanone C12H14O4 222.2372 222.089208936 3-hydroxy-6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one 3-hydroxy-6-methoxy-2,2-dimethyl-3H-1-benzopyran-4-one 31298-69-8 COC1=CC2=C(OC(C)(C)C(O)C2=O)C=C1 InChI=1S/C12H14O4/c1-12(2)11(14)10(13)8-6-7(15-3)4-5-9(8)16-12/h4-6,11,14H,1-3H3 YTGHSHJESKKQEY-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. 2,2-dimethyl-1-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols 2,2-dimethyl-1-benzopyran Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Chromone Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol logp 1.55 ALOGPS logs -1.49 ALOGPS solubility 7.28e+00 g/l ALOGPS logp 1.14 ChemAxon pka_strongest_acidic 12.14 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 3-hydroxy-6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 222.2372 ChemAxon mono_mass 222.089208936 ChemAxon smiles COC1=CC2=C(OC(C)(C)C(O)C2=O)C=C1 ChemAxon formula C12H14O4 ChemAxon inchi InChI=1S/C12H14O4/c1-12(2)11(14)10(13)8-6-7(15-3)4-5-9(8)16-12/h4-6,11,14H,1-3H3 ChemAxon inchikey YTGHSHJESKKQEY-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 57.92 ChemAxon polarizability 22.71 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11129 Specdb::CMs 47284 Specdb::CMs 132161 Specdb::CMs 139895 Specdb::NmrOneD 46522 Specdb::NmrOneD 46523 Specdb::NmrOneD 46524 Specdb::NmrOneD 46525 Specdb::NmrOneD 46526 Specdb::NmrOneD 46527 Specdb::NmrOneD 46528 Specdb::NmrOneD 46529 Specdb::NmrOneD 46530 Specdb::NmrOneD 46531 Specdb::NmrOneD 46532 Specdb::NmrOneD 46533 Specdb::NmrOneD 46534 Specdb::NmrOneD 46535 Specdb::NmrOneD 46536 Specdb::NmrOneD 46537 Specdb::NmrOneD 46538 Specdb::NmrOneD 46539 Specdb::NmrOneD 46540 Specdb::NmrOneD 46541 Specdb::MsMs 290542 Specdb::MsMs 290543 Specdb::MsMs 290544 Specdb::MsMs 330241 Specdb::MsMs 330242 Specdb::MsMs 330243 Specdb::MsMs 2815807 Specdb::MsMs 2815808 Specdb::MsMs 2815809 Specdb::MsMs 2893766 Specdb::MsMs 2893767 Specdb::MsMs 2893768 HMDB41379 #<Reference:0x000055ce3187a848> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322