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

• ChemBase ID: 186214
• Molecular Formular: C20H16O3
• Molecular Mass: 304.33924
• Monoisotopic Mass: 304.10994437
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)occ1c1ccccc1
• Canonical SMILES: O=c1oc2c(C)c3occ(c3cc2c(c1C)C)c1ccccc1
• InChI: InChI=1S/C20H16O3/c1-11-12(2)20(21)23-19-13(3)18-16(9-15(11)19)17(10-22-18)14-7-5-4-6-8-14/h4-10H,1-3H3
• InChIKey: ACEOGKCUHBANAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242124
• PubChem CID: 704616

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7980747
• LogD (pH = 7.4): 4.7980747
• Log P: 4.7980747
• Molar Refractivity: 89.2062 cm^3
• Polarizability: 36.554714 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds