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

• ChemBase ID: 186954
• Molecular Formular: C27H22O3
• Molecular Mass: 394.46178
• Monoisotopic Mass: 394.15689456
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: Cc1c2oc(=O)c(c(c2cc2c1oc(c2c1ccccc1)C)C)Cc1ccccc1
• InChI: InChI=1S/C27H22O3/c1-16-21-15-23-24(20-12-8-5-9-13-20)18(3)29-26(23)17(2)25(21)30-27(28)22(16)14-19-10-6-4-7-11-19/h4-13,15H,14H2,1-3H3
• InChIKey: ZIMPQPQMGWCFDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242864
• PubChem CID: 1756988

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.576009
• LogD (pH = 7.4): 6.576009
• Log P: 6.576009
• Molar Refractivity: 119.0519 cm^3
• Polarizability: 47.95966 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