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

• ChemBase ID: 200649
• Molecular Formular: C33H24O7
• Molecular Mass: 532.53946
• Monoisotopic Mass: 532.15220311
• SMILES: c1(c(oc2c1cc(cc2)OCC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3c(OC)cccc3)/O2)cc1
• Canonical SMILES: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccccc1OC)/C3=O)c(o2)c1ccccc1
• InChI: InChI=1S/C33H24O7/c1-3-37-22-14-16-27-25(18-22)30(32(40-27)20-9-5-4-6-10-20)33(35)38-23-13-15-24-28(19-23)39-29(31(24)34)17-21-11-7-8-12-26(21)36-2/h4-19H,3H2,1-2H3/b29-17-
• InChIKey: LJIWKVWGGGSNHT-RHANQZHGSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256559
• PubChem CID: 1758466

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.631525
• LogD (pH = 7.4): 6.631525
• Log P: 6.631525
• Molar Refractivity: 150.379 cm^3
• Polarizability: 59.66097 Å^3
• Polar Surface Area: 84.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds