(2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]-4-methylcyclohexan-1-one

• ChemBase ID: 194328
• Molecular Formular: C23H24O3
• Molecular Mass: 348.43486
• Monoisotopic Mass: 348.17254463
• SMILES: C\1(=C\c2ccc(cc2)OC)/C(=O)/C(=C\c2ccc(cc2)OC)/CC(C1)C
• Canonical SMILES: COc1ccc(cc1)/C=C/1\CC(C)C/C(=C/c2ccc(cc2)OC)/C1=O
• InChI: InChI=1S/C23H24O3/c1-16-12-19(14-17-4-8-21(25-2)9-5-17)23(24)20(13-16)15-18-6-10-22(26-3)11-7-18/h4-11,14-16H,12-13H2,1-3H3/b19-14-,20-15+
• InChIKey: PKCBZUFBRPBRKZ-FANOUHKGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]-4-methylcyclohexan-1-one
• IUPAC Traditional name: (2Z,6E)-2,6-bis[(4-methoxyphenyl)methylidene]-4-methylcyclohexan-1-one

Database IDs

• PubChem SID: 164250238
• PubChem CID: 6338842

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.568764
• LogD (pH = 7.4): 5.568764
• Log P: 5.568764
• Molar Refractivity: 106.0152 cm^3
• Polarizability: 40.5618 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds