3-(morpholine-4-carbonyl)phenol

• ChemBase ID: 311193
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: C(=O)(N1CCOCC1)c1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2
• InChIKey: PELYAGCBLDBUTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholine-4-carbonyl)phenol
• IUPAC Traditional name: 3-(morpholine-4-carbonyl)phenol
• Synonyms: 3-(4-morpholinylcarbonyl)phenol

Database IDs

• CAS Number: 15789-05-6
• MDL Number: MFCD01017228

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7489648
• LogD (pH = 7.4): 0.7329854
• Log P: 0.74917245
• Molar Refractivity: 55.9852 cm^3
• Polarizability: 21.120264 Å^3
• Polar Surface Area: 49.77 Å^2