3-(4-methylphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 181994
• Molecular Formular: C18H12O3
• Molecular Mass: 276.28608
• Monoisotopic Mass: 276.07864424
• SMILES: c1(c2c(oc1)cc1oc(=O)ccc1c2)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1coc2c1cc1ccc(=O)oc1c2
• InChI: InChI=1S/C18H12O3/c1-11-2-4-12(5-3-11)15-10-20-17-9-16-13(8-14(15)17)6-7-18(19)21-16/h2-10H,1H3
• InChIKey: VDJHVGAQIUSMBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-(4-methylphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164237904
• PubChem CID: 927872

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.10313
• LogD (pH = 7.4): 4.10313
• Log P: 4.10313
• Molar Refractivity: 80.5671 cm^3
• Polarizability: 32.8597 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds