4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

• ChemBase ID: 194702
• Molecular Formular: C24H18O6
• Molecular Mass: 402.39612
• Monoisotopic Mass: 402.1103383
• SMILES: c1(c2c(oc(=O)c1)cc(OC(=O)c1cc(OC)ccc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OC(=O)c1cccc(c1)OC
• InChI: InChI=1S/C24H18O6/c1-27-17-8-6-15(7-9-17)21-14-23(25)30-22-13-19(10-11-20(21)22)29-24(26)16-4-3-5-18(12-16)28-2/h3-14H,1-2H3
• InChIKey: FVGRVXQWSHVBGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate
• IUPAC Traditional name: 4-(4-methoxyphenyl)-2-oxochromen-7-yl 3-methoxybenzoate

Database IDs

• PubChem SID: 164250612
• PubChem CID: 1748407

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.562651
• LogD (pH = 7.4): 4.562651
• Log P: 4.562651
• Molar Refractivity: 119.8306 cm^3
• Polarizability: 42.469463 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds