8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 3,4,5-trimethoxybenzoate

• ChemBase ID: 193802
• Molecular Formular: C26H22O7
• Molecular Mass: 446.44868
• Monoisotopic Mass: 446.13655304
• SMILES: c12c(c(cc(=O)o2)c2ccccc2)ccc(c1C)OC(=O)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1C)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C26H22O7/c1-15-20(32-26(28)17-12-21(29-2)25(31-4)22(13-17)30-3)11-10-18-19(14-23(27)33-24(15)18)16-8-6-5-7-9-16/h5-14H,1-4H3
• InChIKey: AYPHZWUPUBKPJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 3,4,5-trimethoxybenzoate
• IUPAC Traditional name: 8-methyl-2-oxo-4-phenylchromen-7-yl 3,4,5-trimethoxybenzoate

Database IDs

• PubChem SID: 164249712
• PubChem CID: 1298799

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.9184012
• LogD (pH = 7.4): 4.9184012
• Log P: 4.9184012
• Molar Refractivity: 131.335 cm^3
• Polarizability: 46.766705 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds