ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate

• ChemBase ID: 40289
• Molecular Formular: C18H17NO3
• Molecular Mass: 295.33248
• Monoisotopic Mass: 295.12084341
• SMILES: c1(c(cn2c1cccc2)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1c(cn2c1cccc2)c1ccc(cc1)OC
• InChI: InChI=1S/C18H17NO3/c1-3-22-18(20)17-15(12-19-11-5-4-6-16(17)19)13-7-9-14(21-2)10-8-13/h4-12H,3H2,1-2H3
• InChIKey: ABHJVAZWQJYWSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate
• IUPAC Traditional name: ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate
• Synonyms: Ethyl 2-(4-methoxyphenyl)-1-indolizinecarboxylate

Database IDs

• MDL Number: MFCD02082817
• PubChem SID: 162045052
• PubChem CID: 2763434

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4595988
• LogD (pH = 7.4): 3.4595988
• Log P: 3.4595988
• Molar Refractivity: 86.514 cm^3
• Polarizability: 34.62392 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162 °C; 160-162°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%