(2Z)-6-[(2,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 198520
• Molecular Formular: C24H18Cl2O5
• Molecular Mass: 457.30272
• Monoisotopic Mass: 456.05312904
• SMILES: C\1(=C\c2cc(c(cc2)OC)OC)/C(=O)c2c(O1)cc(OCc1c(cc(cc1)Cl)Cl)cc2
• Canonical SMILES: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C24H18Cl2O5/c1-28-20-8-3-14(9-22(20)29-2)10-23-24(27)18-7-6-17(12-21(18)31-23)30-13-15-4-5-16(25)11-19(15)26/h3-12H,13H2,1-2H3/b23-10-
• InChIKey: MKBOTSGAGRPYOB-RMORIDSASA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254430
• PubChem CID: 1802614

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.661823
• LogD (pH = 7.4): 5.661823
• Log P: 5.661823
• Molar Refractivity: 120.6581 cm^3
• Polarizability: 46.18001 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