6-phenylmorpholin-2-one

• ChemBase ID: 801619
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C1C(=O)OC(CN1)c1ccccc1
• Canonical SMILES: O=C1CNCC(O1)c1ccccc1
• InChI: InChI=1S/C10H11NO2/c12-10-7-11-6-9(13-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
• InChIKey: RAUHWUKJZXPDMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylmorpholin-2-one
• IUPAC Traditional name: 6-phenylmorpholin-2-one
• Synonyms: 6-PHENYL-MORPHOLIN-2-ONE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9477511
• LogD (pH = 7.4): 1.0423641
• Log P: 1.0437142
• Molar Refractivity: 47.8609 cm^3
• Polarizability: 19.249636 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%