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

• ChemBase ID: 186265
• Molecular Formular: C25H18O3
• Molecular Mass: 366.40862
• Monoisotopic Mass: 366.12559444
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)Cc1ccccc1
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1Cc1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C25H18O3/c1-16-19-13-21-22(18-10-6-3-7-11-18)15-27-23(21)14-24(19)28-25(26)20(16)12-17-8-4-2-5-9-17/h2-11,13-15H,12H2,1H3
• InChIKey: OPSQSGKZZGXJPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242175
• PubChem CID: 1589175

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.863026
• LogD (pH = 7.4): 5.863026
• Log P: 5.863026
• Molar Refractivity: 108.861 cm^3
• Polarizability: 44.430763 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