(2Z)-3-oxo-2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase ID: 201842
• Molecular Formular: C32H22O6
• Molecular Mass: 502.51348
• Monoisotopic Mass: 502.14163842
• SMILES: c1(c(oc2c1cc(cc2)OCC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3ccccc3)/O2)cc1
• Canonical SMILES: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccccc1)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C32H22O6/c1-2-35-22-14-16-26-25(18-22)29(31(38-26)21-11-7-4-8-12-21)32(34)36-23-13-15-24-27(19-23)37-28(30(24)33)17-20-9-5-3-6-10-20/h3-19H,2H2,1H3/b28-17-
• InChIKey: YYJMRAFYKGUCCB-QRQIAZFYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257752
• PubChem CID: 1762329

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.7891965
• LogD (pH = 7.4): 6.7891965
• Log P: 6.7891965
• Molar Refractivity: 143.9158 cm^3
• Polarizability: 57.16199 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds