(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 199891
• Molecular Formular: C26H24O5
• Molecular Mass: 416.46576
• Monoisotopic Mass: 416.16237387
• SMILES: C\1(=C\c2c(c(OC)ccc2)OC)/C(=O)c2c(O1)cc(OCc1c(ccc(c1)C)C)cc2
• Canonical SMILES: COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1cc(C)ccc1C
• InChI: InChI=1S/C26H24O5/c1-16-8-9-17(2)19(12-16)15-30-20-10-11-21-23(14-20)31-24(25(21)27)13-18-6-5-7-22(28-3)26(18)29-4/h5-14H,15H2,1-4H3/b24-13-
• InChIKey: INGLBHYVRDZTPL-CFRMEGHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164255801
• PubChem CID: 1756553

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.4805765
• LogD (pH = 7.4): 5.4805765
• Log P: 5.4805765
• Molar Refractivity: 121.1309 cm^3
• Polarizability: 45.94347 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds