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

• ChemBase ID: 187231
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)c1ccccc1)c2)C)Cc1ccccc1
• Canonical SMILES: Cc1oc2c(c1c1ccccc1)cc1c(c2)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C26H20O3/c1-16-20-14-22-24(28-17(2)25(22)19-11-7-4-8-12-19)15-23(20)29-26(27)21(16)13-18-9-5-3-6-10-18/h3-12,14-15H,13H2,1-2H3
• InChIKey: SFMXIYZBDWJCCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243141
• PubChem CID: 1764451

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.0625873
• LogD (pH = 7.4): 6.0625873
• Log P: 6.0625873
• Molar Refractivity: 114.0107 cm^3
• Polarizability: 46.193836 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