ethyl 5-(1-benzofuran-2-carbonyloxy)-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase ID: 190821
• Molecular Formular: C26H18O6
• Molecular Mass: 426.41752
• Monoisotopic Mass: 426.1103383
• SMILES: c1(c(oc2c1cc(OC(=O)c1oc3c(c1)cccc3)cc2)c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cc2c(o1)cccc2)c1ccccc1
• InChI: InChI=1S/C26H18O6/c1-2-29-26(28)23-19-15-18(12-13-21(19)32-24(23)16-8-4-3-5-9-16)30-25(27)22-14-17-10-6-7-11-20(17)31-22/h3-15H,2H2,1H3
• InChIKey: KTGKVRIGEOSZQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-(1-benzofuran-2-carbonyloxy)-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: ethyl 5-(1-benzofuran-2-carbonyloxy)-2-phenyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164246731
• PubChem CID: 1426531

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.800441
• LogD (pH = 7.4): 5.800441
• Log P: 5.800441
• Molar Refractivity: 117.2082 cm^3
• Polarizability: 48.507816 Å^3
• Polar Surface Area: 78.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds