3-(3,4-dimethoxyphenyl)-7-(2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}ethoxy)-2-methyl-4H-chromen-4-one

• ChemBase ID: 217181
• Molecular Formular: C38H34O10
• Molecular Mass: 650.67056
• Monoisotopic Mass: 650.21519729
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OCCOc1cc2c(c(=O)c(c(o2)C)c2cc(c(cc2)OC)OC)cc1)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1c(C)oc2c(c1=O)ccc(c2)OCCOc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C
• InChI: InChI=1S/C38H34O10/c1-21-35(23-7-13-29(41-3)33(17-23)43-5)37(39)27-11-9-25(19-31(27)47-21)45-15-16-46-26-10-12-28-32(20-26)48-22(2)36(38(28)40)24-8-14-30(42-4)34(18-24)44-6/h7-14,17-20H,15-16H2,1-6H3
• InChIKey: HVMYWPYSJXHMFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,4-dimethoxyphenyl)-7-(2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}ethoxy)-2-methyl-4H-chromen-4-one
• IUPAC Traditional name: 3-(3,4-dimethoxyphenyl)-7-(2-{[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxy}ethoxy)-2-methylchromen-4-one

Database IDs

• PubChem SID: 164273091
• PubChem CID: 16407289

CALCULATED PROPERTIES

• H Acceptors: 10
• H Donor: 0
• LogD (pH = 5.5): 5.9617295
• LogD (pH = 7.4): 5.9617295
• Log P: 5.9617295
• Molar Refractivity: 179.9288 cm^3
• Polarizability: 68.605606 Å^3
• Polar Surface Area: 107.98 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds