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

• ChemBase ID: 101301
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: N1(Cc2c(CO)cccc2)CCOCC1
• Canonical SMILES: OCc1ccccc1CN1CCOCC1
• InChI: InChI=1S/C12H17NO2/c14-10-12-4-2-1-3-11(12)9-13-5-7-15-8-6-13/h1-4,14H,5-10H2
• InChIKey: JOBIKMKNOFLXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-ylmethyl)phenyl]methanol
• IUPAC Traditional name: [2-(morpholin-4-ylmethyl)phenyl]methanol
• Synonyms: [2-(morpholinomethyl)phenyl]methanol; [2-(morpholin-4-ylmethyl)phenyl]methanol

Database IDs

• CAS Number: 91271-63-5
• MDL Number: MFCD03211251
• PubChem SID: 162088006
• PubChem CID: 693121

CALCULATED PROPERTIES

• Acid pKa: 14.946129
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3363989
• LogD (pH = 7.4): 0.8422732
• Log P: 0.92879236
• Molar Refractivity: 60.4911 cm^3
• Polarizability: 23.47639 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%