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

• ChemBase ID: 195579
• Molecular Formular: C28H26O9
• Molecular Mass: 506.50064
• Monoisotopic Mass: 506.15768241
• SMILES: c1(c(oc2c1cc(OC(=O)c1cc(c(c(c1)OC)OC)OC)cc2)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C28H26O9/c1-6-35-28(30)24-20-15-19(11-12-21(20)37-25(24)16-7-9-18(31-2)10-8-16)36-27(29)17-13-22(32-3)26(34-5)23(14-17)33-4/h7-15H,6H2,1-5H3
• InChIKey: AMVZGPPEBSPIDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251489
• PubChem CID: 1522795

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.090631
• LogD (pH = 7.4): 5.090631
• Log P: 5.090631
• Molar Refractivity: 134.3424 cm^3
• Polarizability: 54.156464 Å^3
• Polar Surface Area: 102.66 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds