2-(morpholine-4-carbonyl)phenol

• ChemBase ID: 252183
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: C(=O)(c1c(O)cccc1)N1CCOCC1
• Canonical SMILES: Oc1ccccc1C(=O)N1CCOCC1
• InChI: InChI=1S/C11H13NO3/c13-10-4-2-1-3-9(10)11(14)12-5-7-15-8-6-12/h1-4,13H,5-8H2
• InChIKey: TUFGIGGYNZUDAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-carbonyl)phenol
• IUPAC Traditional name: 2-(morpholine-4-carbonyl)phenol
• Synonyms: 2-(morpholin-4-ylcarbonyl)phenol

Database IDs

• CAS Number: 3202-84-4
• MDL Number: MFCD00038032
• PubChem SID: 164308093
• PubChem CID: 229478

CALCULATED PROPERTIES

• Acid pKa: 8.172775
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3982574
• LogD (pH = 7.4): 1.3319798
• Log P: 1.3991724
• Molar Refractivity: 55.9852 cm^3
• Polarizability: 21.122238 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 0.646

Product Information

• Purity: 95%