8-benzyl-4,9-dimethyl-3-phenyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 188034
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c1(c2c3c(c(co3)c3ccccc3)c(cc2oc(=O)c1Cc1ccccc1)C)C
• Canonical SMILES: Cc1cc2oc(=O)c(c(c2c2c1c(co2)c1ccccc1)C)Cc1ccccc1
• InChI: InChI=1S/C26H20O3/c1-16-13-22-24(25-23(16)21(15-28-25)19-11-7-4-8-12-19)17(2)20(26(27)29-22)14-18-9-5-3-6-10-18/h3-13,15H,14H2,1-2H3
• InChIKey: FIRXDQHDUHGCLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-4,9-dimethyl-3-phenyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 8-benzyl-4,9-dimethyl-3-phenylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164243944
• PubChem CID: 1774040

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.3764477
• LogD (pH = 7.4): 6.3764477
• Log P: 6.3764477
• Molar Refractivity: 113.9022 cm^3
• Polarizability: 46.197845 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds