1-(4-ethylphenyl)-2-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 266246
• Molecular Formular: C14H19NO2
• Molecular Mass: 233.30616
• Monoisotopic Mass: 233.14157885
• SMILES: C(=O)(CN1CCOCC1)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)C(=O)CN1CCOCC1
• InChI: InChI=1S/C14H19NO2/c1-2-12-3-5-13(6-4-12)14(16)11-15-7-9-17-10-8-15/h3-6H,2,7-11H2,1H3
• InChIKey: CWMVPBLUSZIVCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethylphenyl)-2-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 1-(4-ethylphenyl)-2-(morpholin-4-yl)ethanone
• Synonyms: 1-(4-ethylphenyl)-2-(morpholin-4-yl)ethan-1-one

Database IDs

• MDL Number: MFCD12564747
• PubChem SID: 164322156
• PubChem CID: 43219454

CALCULATED PROPERTIES

• Acid pKa: 17.14364
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.075378
• LogD (pH = 7.4): 2.160678
• Log P: 2.1618814
• Molar Refractivity: 68.6065 cm^3
• Polarizability: 26.523811 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.606

Product Information

• Purity: 95%