2-methoxyethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate

• ChemBase ID: 188408
• Molecular Formular: C15H16O6
• Molecular Mass: 292.28394
• Monoisotopic Mass: 292.09468823
• SMILES: c1(c(oc2c1cc(OC(=O)C)cc2)C)C(=O)OCCOC
• Canonical SMILES: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)C
• InChI: InChI=1S/C15H16O6/c1-9-14(15(17)19-7-6-18-3)12-8-11(21-10(2)16)4-5-13(12)20-9/h4-5,8H,6-7H2,1-3H3
• InChIKey: VPKUUBYJGBDZJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: 2-methoxyethyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164244318
• PubChem CID: 1781044

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.895693
• LogD (pH = 7.4): 1.895693
• Log P: 1.895693
• Molar Refractivity: 74.25 cm^3
• Polarizability: 29.733292 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