1-(4-hydroxyphenyl)-2-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 312062
• Molecular Formular: C12H15NO3
• Molecular Mass: 221.2524
• Monoisotopic Mass: 221.10519335
• SMILES: C(=O)(CN1CCOCC1)c1ccc(cc1)O
• Canonical SMILES: O=C(c1ccc(cc1)O)CN1CCOCC1
• InChI: InChI=1S/C12H15NO3/c14-11-3-1-10(2-4-11)12(15)9-13-5-7-16-8-6-13/h1-4,14H,5-9H2
• InChIKey: COAMYAJCNHSXQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-hydroxyphenyl)-2-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 1-(4-hydroxyphenyl)-2-(morpholin-4-yl)ethanone
• Synonyms: 1-(4-hydroxyphenyl)-2-(4-morpholinyl)ethanone hydrobromide

Database IDs

• CAS Number: 777795-74-1
• MDL Number: MFCD05993810

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.83900565
• LogD (pH = 7.4): 0.73444116
• Log P: 0.9003261
• Molar Refractivity: 60.9452 cm^3
• Polarizability: 23.52747 Å^3
• Polar Surface Area: 49.77 Å^2