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

• ChemBase ID: 202105
• Molecular Formular: C32H22O7
• Molecular Mass: 518.51288
• Monoisotopic Mass: 518.13655304
• SMILES: c1(c(oc2c1cc(cc2)OC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3ccc(cc3)OC)/O2)cc1
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1c(oc2c1cc(OC)cc2)c1ccccc1
• InChI: InChI=1S/C32H22O7/c1-35-21-10-8-19(9-11-21)16-28-30(33)24-14-12-23(18-27(24)38-28)37-32(34)29-25-17-22(36-2)13-15-26(25)39-31(29)20-6-4-3-5-7-20/h3-18H,1-2H3/b28-16-
• InChIKey: YDUZBEZHZVGKPK-NTFVMDSBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164258015
• PubChem CID: 1763156

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.274717
• LogD (pH = 7.4): 6.274717
• Log P: 6.274717
• Molar Refractivity: 145.6304 cm^3
• Polarizability: 57.81417 Å^3
• Polar Surface Area: 84.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds