(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase ID: 198698
• Molecular Formular: C34H26O8
• Molecular Mass: 562.56544
• Monoisotopic Mass: 562.16276779
• SMILES: c1(c(oc2c1cc(cc2)OCC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3c(ccc(c3)OC)OC)/O2)cc1
• Canonical SMILES: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1cc(OC)ccc1OC)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C34H26O8/c1-4-39-23-12-15-28-26(18-23)31(33(42-28)20-8-6-5-7-9-20)34(36)40-24-10-13-25-29(19-24)41-30(32(25)35)17-21-16-22(37-2)11-14-27(21)38-3/h5-19H,4H2,1-3H3/b30-17-
• InChIKey: ZDPYYPGJAVGCSH-LQNQUEJISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164254608
• PubChem CID: 1753223

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 6.4738536
• LogD (pH = 7.4): 6.4738536
• Log P: 6.4738536
• Molar Refractivity: 156.8422 cm^3
• Polarizability: 62.165165 Å^3
• Polar Surface Area: 93.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds