[3-(morpholin-4-yl)phenyl]methanol

• ChemBase ID: 77958
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: N1(c2cccc(c2)CO)CCOCC1
• Canonical SMILES: OCc1cccc(c1)N1CCOCC1
• InChI: InChI=1S/C11H15NO2/c13-9-10-2-1-3-11(8-10)12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
• InChIKey: MXBVALXTJZMIJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholin-4-yl)phenyl]methanol
• IUPAC Traditional name: [3-(morpholin-4-yl)phenyl]methanol
• Synonyms: (3-morpholinophenyl)methanol; [3-(Morpholin-4-yl)phenyl]methanol; 3-(Morpholin-4-yl)benzyl alcohol

Database IDs

• CAS Number: 145127-38-4
• MDL Number: MFCD07772812
• PubChem SID: 162042798
• PubChem CID: 7162074

CALCULATED PROPERTIES

• Acid pKa: 15.099799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0954218
• LogD (pH = 7.4): 1.0954392
• Log P: 1.0954394
• Molar Refractivity: 56.377 cm^3
• Polarizability: 21.25067 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-54°C

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%