1.0 2010-04-08 22:10:04 UTC 2018-05-28 23:35:16 UTC FDB012247 2-(2,4-Dihydroxyphenyl)-5,6-dimethoxybenzofuran Isolated from trunkwood of Myroxylon balsamum (Tolu balsam). 2-(2,4-Dihydroxyphenyl)-5,6-dimethoxybenzofuran 2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran C16H14O5 286.2794 286.084123558 4-(5,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol 4-(5,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol 67492-33-5 COC1=C(OC)C=C2C=C(OC2=C1)C1=C(O)C=C(O)C=C1 InChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18/h3-8,17-18H,1-2H3 TTWXNRBRBJPLQH-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-phenylbenzofurans Alkyl aryl ethers Anisoles Benzene and substituted derivatives Furans Heteroaromatic compounds Hydrocarbon derivatives Oxacyclic compounds Resorcinols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid 2-phenylbenzofuran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Ether Furan Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenylbenzofuran Resorcinol Other Flavonoids logp 3.33 ALOGPS logs -3.29 ALOGPS solubility 1.47e-01 g/l ALOGPS melting_point Mp 178-180° logp 2.78 ChemAxon pka_strongest_acidic 8.4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-(5,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol ChemAxon average_mass 286.2794 ChemAxon mono_mass 286.084123558 ChemAxon smiles COC1=C(OC)C=C2C=C(OC2=C1)C1=C(O)C=C(O)C=C1 ChemAxon formula C16H14O5 ChemAxon inchi InChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18/h3-8,17-18H,1-2H3 ChemAxon inchikey TTWXNRBRBJPLQH-UHFFFAOYSA-N ChemAxon polar_surface_area 72.06 ChemAxon refractivity 76.8 ChemAxon polarizability 30.12 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19304 Specdb::CMs 43646 Specdb::CMs 133624 Specdb::CMs 141358 Specdb::MsMs 73140 Specdb::MsMs 73141 Specdb::MsMs 73142 Specdb::MsMs 132243 Specdb::MsMs 132244 Specdb::MsMs 132245 Specdb::MsMs 2734247 Specdb::MsMs 2734248 Specdb::MsMs 2734249 Specdb::MsMs 2972091 Specdb::MsMs 2972092 Specdb::MsMs 2972093 HMDB34011 #<Reference:0x000055ce32181f18>