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

• ChemBase ID: 195095
• Molecular Formular: C22H20O3
• Molecular Mass: 332.3924
• Monoisotopic Mass: 332.1412445
• SMILES: c12c(c(c(c(=O)o1)CC)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C
• InChI: InChI=1S/C22H20O3/c1-5-16-12(2)17-11-18-19(15-9-7-6-8-10-15)14(4)24-21(18)13(3)20(17)25-22(16)23/h6-11H,5H2,1-4H3
• InChIKey: VCQUACSKLUYXLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251005
• PubChem CID: 1798690

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.442205
• LogD (pH = 7.4): 5.442205
• Log P: 5.442205
• Molar Refractivity: 98.9569 cm^3
• Polarizability: 40.1652 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds