3-(4-methoxyphenyl)-5-methyl-6-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 195282
• Molecular Formular: C22H20O4
• Molecular Mass: 348.3918
• Monoisotopic Mass: 348.13615912
• SMILES: c1(c(c(=O)oc2c1cc1c(coc1c2)c1ccc(cc1)OC)C(C)C)C
• Canonical SMILES: COc1ccc(cc1)c1coc2c1cc1c(c2)oc(=O)c(c1C)C(C)C
• InChI: InChI=1S/C22H20O4/c1-12(2)21-13(3)16-9-17-18(14-5-7-15(24-4)8-6-14)11-25-19(17)10-20(16)26-22(21)23/h5-12H,1-4H3
• InChIKey: QQGWFYITNBEGFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-5-methyl-6-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-isopropyl-3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164251192
• PubChem CID: 907129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.85857
• LogD (pH = 7.4): 4.85857
• Log P: 4.85857
• Molar Refractivity: 99.7778 cm^3
• Polarizability: 40.955536 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds