1.0 2010-04-08 22:09:22 UTC 2025-11-18 23:23:13 UTC FDB010938 5,7-Dimethoxycoumarin Found in lime and bergamot oils 5, 7-Dimethoxycoumarin 5,7-Dimethoxy-2-benzopyrone 5,7-Dimethoxy-2H-1-benzo-pyran-2-one 5,7-Dimethoxy-2H-1-benzopyran-2-one 5,7-Dimethoxy-2H-chromen-2-one 5,7-Dimethoxy-coumarin 5,7-Dimethoxycoumarin 5,7-Dimethyloxy-2H-1-benzopyran-2-one Citraptene Citropten Citroptene Limetin Limettin C11H10O4 206.1947 206.057908808 5,7-dimethoxy-2H-chromen-2-one limettin 487-06-9 COC1=CC(OC)=C2C=CC(=O)OC2=C1 InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3 NXJCRELRQHZBQA-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 1.79 ALOGPS logs -2.69 ALOGPS solubility 4.19e-01 g/l ALOGPS melting_point Mp 147° logp 1.47 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 5,7-dimethoxy-2H-chromen-2-one ChemAxon average_mass 206.1947 ChemAxon mono_mass 206.057908808 ChemAxon smiles COC1=CC(OC)=C2C=CC(=O)OC2=C1 ChemAxon formula C11H10O4 ChemAxon inchi InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3 ChemAxon inchikey NXJCRELRQHZBQA-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 54.48 ChemAxon polarizability 20.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5836 Specdb::MsIr 5837 Specdb::CMs 24027 Specdb::CMs 148458 Specdb::MsMs 12017 Specdb::MsMs 12018 Specdb::MsMs 12019 Specdb::MsMs 18689 Specdb::MsMs 18690 Specdb::MsMs 18691 Specdb::MsMs 374609 Specdb::MsMs 451233 Specdb::MsMs 2243486 Specdb::MsMs 2244500 Specdb::MsMs 2245626 Specdb::MsMs 2246575 Specdb::MsMs 2247705 Specdb::MsMs 2248580 Specdb::MsMs 2249814 Specdb::MsMs 2250624 Specdb::MsMs 2251760 Specdb::MsMs 2736290 Specdb::MsMs 2736291 Specdb::MsMs 2736292 Specdb::MsMs 2968758 Specdb::MsMs 2968759 Specdb::MsMs 2968760 HMDB32952 #<Reference:0x000055ce30c75700> Citrus Unknown generic Lemon Type 1 specific Citrus limon 2708 Lime Type 1 specific Citrus aurantiifolia 159033