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

• ChemBase ID: 186275
• Molecular Formular: C22H20O3
• Molecular Mass: 332.3924
• Monoisotopic Mass: 332.1412445
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: O=c1oc2c(c(c1Cc1ccccc1)C)cc1c(c2C)oc(c1C)C
• InChI: InChI=1S/C22H20O3/c1-12-15(4)24-20-14(3)21-18(11-17(12)20)13(2)19(22(23)25-21)10-16-8-6-5-7-9-16/h5-9,11H,10H2,1-4H3
• InChIKey: XZGYARHQFBBUNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242185
• PubChem CID: 854737

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: 38.67428 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