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

• ChemBase ID: 66431
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(O)c1c(cccc1)N1CCOCC1
• Canonical SMILES: OCc1ccccc1N1CCOCC1
• InChI: InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2
• InChIKey: MYGVYNRBQSAMIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)phenyl]methanol
• IUPAC Traditional name: [2-(morpholin-4-yl)phenyl]methanol
• Synonyms: (2-morpholinophenyl)methanol; 2-Morpholinophenylmethanol; (2-Morpholin-4-yl-phenyl)methanol; (2-morpholin-4-ylphenyl)methanol

Database IDs

• CAS Number: 465514-33-4
• MDL Number: MFCD03086181
• PubChem SID: 162032169
• PubChem CID: 2776562

CALCULATED PROPERTIES

• Acid pKa: 14.965642
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0954365
• LogD (pH = 7.4): 1.0954394
• Log P: 1.0954394
• Molar Refractivity: 56.377 cm^3
• Polarizability: 21.250986 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-57°C
• Hydrophobicity(logP): 0.924

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%