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

• ChemBase ID: 191224
• Molecular Formular: C23H24O5
• Molecular Mass: 380.43366
• Monoisotopic Mass: 380.16237387
• SMILES: c1(c(oc2c1cc(cc2)OCC=C(C)C)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(OCC=C(C)C)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C23H24O5/c1-5-26-23(24)21-19-14-18(27-13-12-15(2)3)10-11-20(19)28-22(21)16-6-8-17(25-4)9-7-16/h6-12,14H,5,13H2,1-4H3
• InChIKey: WLLNWSPXMDUBHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247134
• PubChem CID: 1425210

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1057844
• LogD (pH = 7.4): 5.1057844
• Log P: 5.1057844
• Molar Refractivity: 108.7313 cm^3
• Polarizability: 44.12046 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds