3-methyl-5-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186001
• Molecular Formular: C18H12O3
• Molecular Mass: 276.28608
• Monoisotopic Mass: 276.07864424
• SMILES: c1(c2c(oc(=O)c1)cc1c(c2)c(co1)C)c1ccccc1
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1)c1ccccc1)C
• InChI: InChI=1S/C18H12O3/c1-11-10-20-16-9-17-15(7-13(11)16)14(8-18(19)21-17)12-5-3-2-4-6-12/h2-10H,1H3
• InChIKey: XGWRPHNTNZIVAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-methyl-5-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164241911
• PubChem CID: 707727

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.889103
• LogD (pH = 7.4): 3.889103
• Log P: 3.889103
• Molar Refractivity: 88.9836 cm^3
• Polarizability: 31.44189 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