1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:43 UTC FDB001507 2,8-Dihydroxy-3,4,7-trimethoxy-dibenzofuran 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is a member of the class of compounds known as dibenzofurans. Dibenzofurans are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran can be found in pear, which makes 2,8-dihydroxy-3,4,7-trimethoxy-dibenzofuran a potential biomarker for the consumption of this food product. 2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran 3,4,7-trimethoxydibenzo[b,d]furan-2,8-diol C15H14O6 290.2681 290.07903818 5,6,11-trimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaene-4,12-diol 5,6,11-trimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaene-4,12-diol 167278-42-4 COC1=C(O)C=C2C(OC3=C(OC)C(OC)=C(O)C=C23)=C1 InChI=1S/C15H14O6/c1-18-12-6-11-7(4-9(12)16)8-5-10(17)14(19-2)15(20-3)13(8)21-11/h4-6,16-17H,1-3H3 BUJOWQKLLDUNTC-UHFFFAOYSA-N belongs to the class of organic compounds known as dibenzofurans. Dibenzofurans are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring. Dibenzofurans Organic compounds Organoheterocyclic compounds Benzofurans Dibenzofurans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Furans Heteroaromatic compounds Hydrocarbon derivatives Oxacyclic compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Dibenzofuran Ether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle aromatic ether dibenzofurans polyphenol logp 2.33 ALOGPS logs -2.93 ALOGPS solubility 3.41e-01 g/l ALOGPS logp 2.07 ChemAxon pka_strongest_acidic 9.08 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 5,6,11-trimethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaene-4,12-diol ChemAxon average_mass 290.2681 ChemAxon mono_mass 290.07903818 ChemAxon smiles COC1=C(O)C=C2C(OC3=C(OC)C(OC)=C(O)C=C23)=C1 ChemAxon formula C15H14O6 ChemAxon inchi InChI=1S/C15H14O6/c1-18-12-6-11-7(4-9(12)16)8-5-10(17)14(19-2)15(20-3)13(8)21-11/h4-6,16-17H,1-3H3 ChemAxon inchikey BUJOWQKLLDUNTC-UHFFFAOYSA-N ChemAxon polar_surface_area 81.29 ChemAxon refractivity 74.58 ChemAxon polarizability 29.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96627 Specdb::MsMs 96628 Specdb::MsMs 96629 Specdb::MsMs 161160 Specdb::MsMs 161161 Specdb::MsMs 161162 Specdb::MsMs 3597622 Specdb::MsMs 3597623 Specdb::MsMs 3597624 Specdb::MsMs 3598960 Specdb::MsMs 3598961 Specdb::MsMs 3598962 961 Pear Type 1 specific Pyrus communis 23211