(2Z)-6-[(2-methylphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 199289
• Molecular Formular: C26H24O6
• Molecular Mass: 432.46516
• Monoisotopic Mass: 432.15728849
• SMILES: C\1(=C\c2cc(c(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(OCc1c(C)cccc1)cc2
• Canonical SMILES: COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OCc2ccccc2C)cc(c1OC)OC
• InChI: InChI=1S/C26H24O6/c1-16-7-5-6-8-18(16)15-31-19-9-10-20-21(14-19)32-22(25(20)27)11-17-12-23(28-2)26(30-4)24(13-17)29-3/h5-14H,15H2,1-4H3/b22-11-
• InChIKey: XOYQHHBRTNBRKN-JJFYIABZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-[(2-methylphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-[(2-methylphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164255199
• PubChem CID: 1754862

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.8094835
• LogD (pH = 7.4): 4.8094835
• Log P: 4.8094835
• Molar Refractivity: 122.5529 cm^3
• Polarizability: 46.696735 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds