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

• ChemBase ID: 194217
• Molecular Formular: C24H18O6
• Molecular Mass: 402.39612
• Monoisotopic Mass: 402.1103383
• SMILES: c1(c2c(oc(=O)c1)cc(OC(=O)c1ccc(cc1)OC)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(=O)cc2c1ccc(cc1)OC
• InChI: InChI=1S/C24H18O6/c1-27-17-7-3-15(4-8-17)21-14-23(25)30-22-13-19(11-12-20(21)22)29-24(26)16-5-9-18(28-2)10-6-16/h3-14H,1-2H3
• InChIKey: UNACALOTRMBTEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250127
• PubChem CID: 1289455

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: 42.468933 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