1.0 2010-04-08 22:05:30 UTC 2015-07-20 21:48:10 UTC FDB002757 3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1H-2-benzopyran-1-one Natural sweetener approx. 600-800 times sweeter than sucrose 3,4-Dihydro-3-(3-hydroxy-4-methoxyphenyl)-8-hydroxyisocoumarin 3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-1H-2-benzopyran-1-one Phyllodulcin Phyllodulcinol C16H14O5 286.2794 286.084123558 8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one phyllodulcin 21499-23-0 COC1=C(O)C=C(C=C1)C1CC2=C(C(=O)O1)C(O)=CC=C2 InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3 PBILBHLAPJTJOT-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 heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-benzopyrans Alkyl aryl ethers Anisoles Carboxylic acid esters Hydrocarbon derivatives Lactones Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzopyran Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Isochromane Lactone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Vinylogous acid logp 2.63 ALOGPS logs -3.63 ALOGPS solubility 6.71e-02 g/l ALOGPS melting_point Mp 120° logp 3.49 ChemAxon pka_strongest_acidic 9.41 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one ChemAxon average_mass 286.2794 ChemAxon mono_mass 286.084123558 ChemAxon smiles COC1=C(O)C=C(C=C1)C1CC2=C(C(=O)O1)C(O)=CC=C2 ChemAxon formula C16H14O5 ChemAxon inchi InChI=1S/C16H14O5/c1-20-13-6-5-9(7-12(13)18)14-8-10-3-2-4-11(17)15(10)16(19)21-14/h2-7,14,17-18H,8H2,1H3 ChemAxon inchikey PBILBHLAPJTJOT-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 76.1 ChemAxon polarizability 29.19 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19756 Specdb::CMs 42177 Specdb::CMs 162872 Specdb::MsMs 99930 Specdb::MsMs 99931 Specdb::MsMs 99932 Specdb::MsMs 165153 Specdb::MsMs 165154 Specdb::MsMs 165155 Specdb::MsMs 2315891 Specdb::MsMs 2315892 Specdb::MsMs 2315893 Specdb::MsMs 2622656 Specdb::MsMs 2622657 Specdb::MsMs 2622658 HMDB30807 #<Reference:0x000055ce32cc32a0>