(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase ID: 198864
• Molecular Formular: C34H26O9
• Molecular Mass: 578.56484
• Monoisotopic Mass: 578.15768241
• SMILES: c1(c(oc2c1cc(cc2)OC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3cc(c(c(c3)OC)OC)OC)/O2)cc1
• Canonical SMILES: COc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1cc(OC)c(c(c1)OC)OC)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C34H26O9/c1-37-21-11-13-25-24(17-21)30(32(43-25)20-8-6-5-7-9-20)34(36)41-22-10-12-23-26(18-22)42-27(31(23)35)14-19-15-28(38-2)33(40-4)29(16-19)39-3/h5-18H,1-4H3/b27-14-
• InChIKey: IUGVFBARQHEHOG-VYYCAZPPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: (2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164254774
• PubChem CID: 1802989

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 5.9593744
• LogD (pH = 7.4): 5.9593744
• Log P: 5.9593744
• Molar Refractivity: 158.5568 cm^3
• Polarizability: 62.836212 Å^3
• Polar Surface Area: 102.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds