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

• ChemBase ID: 216865
• Molecular Formular: C36H30O8
• Molecular Mass: 590.6186
• Monoisotopic Mass: 590.19406792
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OCCOc1cc2c(c(=O)c(c(o2)C)c2ccc(cc2)OC)cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OCCOc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)OC)C
• InChI: InChI=1S/C36H30O8/c1-21-33(23-5-9-25(39-3)10-6-23)35(37)29-15-13-27(19-31(29)43-21)41-17-18-42-28-14-16-30-32(20-28)44-22(2)34(36(30)38)24-7-11-26(40-4)12-8-24/h5-16,19-20H,17-18H2,1-4H3
• InChIKey: XXLDEEHMABGRTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164272775
• PubChem CID: 16407045

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 6.277072
• LogD (pH = 7.4): 6.277072
• Log P: 6.277072
• Molar Refractivity: 167.0024 cm^3
• Polarizability: 63.55236 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds