4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-phenylbutan-2-ol

• ChemBase ID: 180737
• Molecular Formular: C24H24O3
• Molecular Mass: 360.44556
• Monoisotopic Mass: 360.17254463
• SMILES: c1(c2oc(cc2)C)c(oc2c1cc(cc2)C)CCC(c1ccccc1)(O)C
• Canonical SMILES: Cc1ccc(o1)c1c(CCC(c2ccccc2)(O)C)oc2c1cc(C)cc2
• InChI: InChI=1S/C24H24O3/c1-16-9-11-20-19(15-16)23(21-12-10-17(2)26-21)22(27-20)13-14-24(3,25)18-7-5-4-6-8-18/h4-12,15,25H,13-14H2,1-3H3
• InChIKey: KGVQDYYCGGJDKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-phenylbutan-2-ol
• IUPAC Traditional name: 4-[5-methyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-phenylbutan-2-ol

Database IDs

• PubChem SID: 164236647
• PubChem CID: 2751444

CALCULATED PROPERTIES

• Acid pKa: 14.30593
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.347615
• LogD (pH = 7.4): 5.3476143
• Log P: 5.347615
• Molar Refractivity: 107.7415 cm^3
• Polarizability: 43.64432 Å^3
• Polar Surface Area: 46.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds