methyl 5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylate

• ChemBase ID: 186708
• Molecular Formular: C23H18O6
• Molecular Mass: 390.38542
• Monoisotopic Mass: 390.1103383
• SMILES: c12c(c(cc(=O)o1)c1ccccc1)ccc(c2C)OCc1oc(C(=O)OC)cc1
• Canonical SMILES: COC(=O)c1ccc(o1)COc1ccc2c(c1C)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H18O6/c1-14-19(27-13-16-8-10-20(28-16)23(25)26-2)11-9-17-18(12-21(24)29-22(14)17)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
• InChIKey: SATARCXMFIJUBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylate
• IUPAC Traditional name: methyl 5-{[(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy]methyl}furan-2-carboxylate

Database IDs

• PubChem SID: 164242618
• PubChem CID: 1318715

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.280506
• LogD (pH = 7.4): 4.280506
• Log P: 4.280506
• Molar Refractivity: 115.512 cm^3
• Polarizability: 40.464382 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds