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

• ChemBase ID: 101169
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N1(Cc2ccc(cc2)CO)CCOCC1
• Canonical SMILES: OCc1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C12H17NO2/c14-10-12-3-1-11(2-4-12)9-13-5-7-15-8-6-13/h1-4,14H,5-10H2
• InChIKey: MWVQMAWLNHACQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(morpholin-4-ylmethyl)phenyl]methanol
• IUPAC Traditional name: [4-(morpholin-4-ylmethyl)phenyl]methanol
• Synonyms: [4-(morpholinomethyl)phenyl]methanol

Database IDs

• CAS Number: 91271-65-7
• MDL Number: MFCD04974050
• PubChem SID: 162087894
• PubChem CID: 2795499

CALCULATED PROPERTIES

• Acid pKa: 15.004932
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5778355
• LogD (pH = 7.4): 0.7840717
• Log P: 0.92879236
• Molar Refractivity: 60.4911 cm^3
• Polarizability: 23.476389 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%