9-benzyl-2,2,5,10-tetramethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-8-one

• ChemBase ID: 200210
• Molecular Formular: C23H24O3
• Molecular Mass: 348.43486
• Monoisotopic Mass: 348.17254463
• SMILES: c1(c2c3c(c(cc2oc(=O)c1Cc1ccccc1)C)CCC(O3)(C)C)C
• Canonical SMILES: O=c1oc2cc(C)c3c(c2c(c1Cc1ccccc1)C)OC(CC3)(C)C
• InChI: InChI=1S/C23H24O3/c1-14-12-19-20(21-17(14)10-11-23(3,4)26-21)15(2)18(22(24)25-19)13-16-8-6-5-7-9-16/h5-9,12H,10-11,13H2,1-4H3
• InChIKey: ZQMVVXLOEHJBDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-benzyl-2,2,5,10-tetramethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-8-one
• IUPAC Traditional name: 9-benzyl-2,2,5,10-tetramethyl-3H,4H-pyrano[2,3-f]chromen-8-one

Database IDs

• PubChem SID: 164256120
• PubChem CID: 1757148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.594036
• LogD (pH = 7.4): 5.594036
• Log P: 5.594036
• Molar Refractivity: 103.3557 cm^3
• Polarizability: 39.827133 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds