6-benzyl-5,9-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186208
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)occ1c1ccccc1
• Canonical SMILES: Cc1c2oc(=O)c(c(c2cc2c1occ2c1ccccc1)C)Cc1ccccc1
• InChI: InChI=1S/C26H20O3/c1-16-20-14-22-23(19-11-7-4-8-12-19)15-28-24(22)17(2)25(20)29-26(27)21(16)13-18-9-5-3-6-10-18/h3-12,14-15H,13H2,1-2H3
• InChIKey: ANTVDKQRNQGPIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-benzyl-5,9-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 6-benzyl-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242118
• PubChem CID: 1751581

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: 46.19652 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