4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate

• ChemBase ID: 194965
• Molecular Formular: C27H24O8
• Molecular Mass: 476.47466
• Monoisotopic Mass: 476.14711773
• SMILES: c12c(c(cc(=O)o2)c2ccc(cc2)OC)ccc(c1C)OC(=O)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OC(=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C27H24O8/c1-15-21(34-27(29)17-12-22(31-3)26(33-5)23(13-17)32-4)11-10-19-20(14-24(28)35-25(15)19)16-6-8-18(30-2)9-7-16/h6-14H,1-5H3
• InChIKey: AXDNVJUWFUHSGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 3,4,5-trimethoxybenzoate
• IUPAC Traditional name: 4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl 3,4,5-trimethoxybenzoate

Database IDs

• PubChem SID: 164250875
• PubChem CID: 1798521

CALCULATED PROPERTIES

• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.76073
• LogD (pH = 7.4): 4.76073
• Log P: 4.76073
• Molar Refractivity: 137.7982 cm^3
• Polarizability: 49.297916 Å^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds