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

• ChemBase ID: 201783
• Molecular Formular: C24H19ClO5
• Molecular Mass: 422.85766
• Monoisotopic Mass: 422.09210139
• SMILES: C\1(=C\c2c(ccc(c2)OC)OC)/C(=O)c2c(O1)cc(OCc1cc(Cl)ccc1)cc2
• Canonical SMILES: COc1ccc(c(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1cccc(c1)Cl)OC
• InChI: InChI=1S/C24H19ClO5/c1-27-18-7-9-21(28-2)16(11-18)12-23-24(26)20-8-6-19(13-22(20)30-23)29-14-15-4-3-5-17(25)10-15/h3-13H,14H2,1-2H3/b23-12-
• InChIKey: JLHHFDQMDCGZAR-FMCGGJTJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257693
• PubChem CID: 1762167

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.0577784
• LogD (pH = 7.4): 5.0577784
• Log P: 5.0577784
• Molar Refractivity: 115.8533 cm^3
• Polarizability: 44.280376 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