ethyl 5-(3-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate

• ChemBase ID: 190946
• Molecular Formular: C20H18O6
• Molecular Mass: 354.35332
• Monoisotopic Mass: 354.1103383
• SMILES: c1(c(oc2c1cc(OC(=O)c1cc(OC)ccc1)cc2)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccc(c1)OC
• InChI: InChI=1S/C20H18O6/c1-4-24-20(22)18-12(2)25-17-9-8-15(11-16(17)18)26-19(21)13-6-5-7-14(10-13)23-3/h5-11H,4H2,1-3H3
• InChIKey: GCQLFKYAUNIWTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-(3-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: ethyl 5-(3-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164246856
• PubChem CID: 1427919

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1959796
• LogD (pH = 7.4): 4.1959796
• Log P: 4.1959796
• Molar Refractivity: 95.0888 cm^3
• Polarizability: 37.412468 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds