ethyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

• ChemBase ID: 191167
• Molecular Formular: C19H18O5
• Molecular Mass: 326.34322
• Monoisotopic Mass: 326.11542368
• SMILES: c1(c(oc2c1cc(cc2)OC)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(OC)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C19H18O5/c1-4-23-19(20)17-15-11-14(22-3)9-10-16(15)24-18(17)12-5-7-13(21-2)8-6-12/h5-11H,4H2,1-3H3
• InChIKey: XEZGUJVZAJUTDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
• IUPAC Traditional name: ethyl 5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164247077
• PubChem CID: 2129919

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.744538
• LogD (pH = 7.4): 3.744538
• Log P: 3.744538
• Molar Refractivity: 89.6131 cm^3
• Polarizability: 36.976616 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds