8-benzyl-2,3,4,9-tetramethyl-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 188304
• Molecular Formular: C22H20O3
• Molecular Mass: 332.3924
• Monoisotopic Mass: 332.1412445
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)Cc1ccccc1)C
• Canonical SMILES: O=c1oc2cc(C)c3c(c2c(c1Cc1ccccc1)C)oc(c3C)C
• InChI: InChI=1S/C22H20O3/c1-12-10-18-20(21-19(12)13(2)15(4)24-21)14(3)17(22(23)25-18)11-16-8-6-5-7-9-16/h5-10H,11H2,1-4H3
• InChIKey: YMMLRGVFZDAKQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-2,3,4,9-tetramethyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 8-benzyl-2,3,4,9-tetramethylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164244214
• PubChem CID: 707857

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: 38.67486 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