4-(4-methoxyphenyl)-8-methyl-7-(propan-2-yloxy)-2H-chromen-2-one

• ChemBase ID: 191048
• Molecular Formular: C20H20O4
• Molecular Mass: 324.3704
• Monoisotopic Mass: 324.13615912
• SMILES: c12c(c(cc(=O)o2)c2ccc(cc2)OC)ccc(c1C)OC(C)C
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OC(C)C
• InChI: InChI=1S/C20H20O4/c1-12(2)23-18-10-9-16-17(11-19(21)24-20(16)13(18)3)14-5-7-15(22-4)8-6-14/h5-12H,1-4H3
• InChIKey: FIYRKKHLSXCHDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-8-methyl-7-(propan-2-yloxy)-2H-chromen-2-one
• IUPAC Traditional name: 7-isopropoxy-4-(4-methoxyphenyl)-8-methylchromen-2-one

Database IDs

• PubChem SID: 164246958
• PubChem CID: 800891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.18802
• LogD (pH = 7.4): 4.18802
• Log P: 4.18802
• Molar Refractivity: 102.2363 cm^3
• Polarizability: 35.763878 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds