2-methyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 187185
• Molecular Formular: C18H12O3
• Molecular Mass: 276.28608
• Monoisotopic Mass: 276.07864424
• SMILES: c12c(c(oc1cc1oc(=O)ccc1c2)C)c1ccccc1
• Canonical SMILES: O=c1ccc2c(o1)cc1c(c2)c(c(o1)C)c1ccccc1
• InChI: InChI=1S/C18H12O3/c1-11-18(12-5-3-2-4-6-12)14-9-13-7-8-17(19)21-15(13)10-16(14)20-11/h2-10H,1H3
• InChIKey: CWOCLHKJPMDDHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 2-methyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243095
• PubChem CID: 707679

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7892697
• LogD (pH = 7.4): 3.7892697
• Log P: 3.7892697
• Molar Refractivity: 80.6756 cm^3
• Polarizability: 32.858913 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