ethyl 5-[(1-ethoxy-1-oxopropan-2-yl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

• ChemBase ID: 191027
• Molecular Formular: C23H24O7
• Molecular Mass: 412.43246
• Monoisotopic Mass: 412.15220311
• SMILES: c1(c(oc2c1cc(OC(C(=O)OCC)C)cc2)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(cc2)OC(C(=O)OCC)C)c1ccc(cc1)OC
• InChI: InChI=1S/C23H24O7/c1-5-27-22(24)14(3)29-17-11-12-19-18(13-17)20(23(25)28-6-2)21(30-19)15-7-9-16(26-4)10-8-15/h7-14H,5-6H2,1-4H3
• InChIKey: UOJNKXNZAZAYGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-[(1-ethoxy-1-oxopropan-2-yl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
• IUPAC Traditional name: ethyl 5-[(1-ethoxy-1-oxopropan-2-yl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164246937
• PubChem CID: 3378281

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2939878
• LogD (pH = 7.4): 4.2939878
• Log P: 4.2939878
• Molar Refractivity: 109.7093 cm^3
• Polarizability: 45.09396 Å^3
• Polar Surface Area: 84.2 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds