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

• ChemBase ID: 198146
• Molecular Formular: C27H24O8
• Molecular Mass: 476.47466
• Monoisotopic Mass: 476.14711773
• SMILES: c1(c(=O)c2c(oc1C)cc(OC(=O)c1cc(c(c(c1)OC)OC)OC)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OC(=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C27H24O8/c1-15-24(16-6-8-18(30-2)9-7-16)25(28)20-11-10-19(14-21(20)34-15)35-27(29)17-12-22(31-3)26(33-5)23(13-17)32-4/h6-14H,1-5H3
• InChIKey: KSDLVUKNRVCNPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254056
• PubChem CID: 1522790

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.570391
• LogD (pH = 7.4): 4.570391
• Log P: 4.570391
• Molar Refractivity: 129.215 cm^3
• Polarizability: 49.356167 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds