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

• ChemBase ID: 66430
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(O)c1ccc(cc1)N1CCOCC1
• Canonical SMILES: OCc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C11H15NO2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,13H,5-9H2
• InChIKey: KUAHZNZWSIDSTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 280556-71-0
• MDL Number: MFCD01057413
• PubChem SID: 162032168
• PubChem CID: 2776456

CALCULATED PROPERTIES

• Acid pKa: 15.142765
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0954168
• LogD (pH = 7.4): 1.0954392
• Log P: 1.0954394
• Molar Refractivity: 56.377 cm^3
• Polarizability: 21.250622 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96-98°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Air Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%