4-(morpholine-4-carbonyl)phenol

• ChemBase ID: 118735
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: C(=O)(N1CCOCC1)c1ccc(cc1)O
• Canonical SMILES: O=C(c1ccc(cc1)O)N1CCOCC1
• InChI: InChI=1S/C11H13NO3/c13-10-3-1-9(2-4-10)11(14)12-5-7-15-8-6-12/h1-4,13H,5-8H2
• InChIKey: GJHYHTYGGHFYNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 18137-25-2
• MDL Number: MFCD00185859
• PubChem SID: 162099227
• PubChem CID: 7586556

CALCULATED PROPERTIES

• Acid pKa: 8.458643
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.748698
• LogD (pH = 7.4): 0.7130396
• Log P: 0.74917245
• Molar Refractivity: 55.9852 cm^3
• Polarizability: 21.119658 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.66

Product Information

• Purity: 95+%