2-phenylmorpholin-3-one

• ChemBase ID: 801624
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C1(=O)C(OCCN1)c1ccccc1
• Canonical SMILES: O=C1NCCOC1c1ccccc1
• InChI: InChI=1S/C10H11NO2/c12-10-9(13-7-6-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
• InChIKey: VPUNPUOLAPOHAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylmorpholin-3-one
• IUPAC Traditional name: 2-phenylmorpholin-3-one
• Synonyms: 2-PHENYLMORPHOLIN-3-ONE

CALCULATED PROPERTIES

• Acid pKa: 12.960735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7841706
• LogD (pH = 7.4): 0.7841696
• Log P: 0.7841706
• Molar Refractivity: 48.2049 cm^3
• Polarizability: 18.861422 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%