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

• ChemBase ID: 195784
• Molecular Formular: C24H24O3
• Molecular Mass: 360.44556
• Monoisotopic Mass: 360.17254463
• SMILES: c1(c2c3c(c(co3)C(C)(C)C)c(cc2oc(=O)c1Cc1ccccc1)C)C
• Canonical SMILES: O=c1oc2cc(C)c3c(c2c(c1Cc1ccccc1)C)occ3C(C)(C)C
• InChI: InChI=1S/C24H24O3/c1-14-11-19-21(22-20(14)18(13-26-22)24(3,4)5)15(2)17(23(25)27-19)12-16-9-7-6-8-10-16/h6-11,13H,12H2,1-5H3
• InChIKey: HCKVILLYYJZSRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-3-tert-butyl-4,9-dimethyl-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 8-benzyl-3-tert-butyl-4,9-dimethylfuro[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164251694
• PubChem CID: 1799374

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2742786
• LogD (pH = 7.4): 6.2742786
• Log P: 6.2742786
• Molar Refractivity: 107.4319 cm^3
• Polarizability: 42.44655 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds