2-(morpholin-4-yl)-1-phenylethan-1-ol

• ChemBase ID: 112433
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: OC(CN1CCOCC1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)CN1CCOCC1
• InChI: InChI=1S/C12H17NO2/c14-12(11-4-2-1-3-5-11)10-13-6-8-15-9-7-13/h1-5,12,14H,6-10H2
• InChIKey: CKCUWHAMJDWXOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1-phenylethan-1-ol
• IUPAC Traditional name: 4-morpholineethanol, α-phenyl-
• Synonyms: N(2-HYDROXY-2-PHENYLETHYL) MORPHOLINE

Database IDs

• CAS Number: 4432-34-2
• PubChem SID: 162097412
• PubChem CID: 20491

CALCULATED PROPERTIES

• Acid pKa: 14.111324
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.27910453
• LogD (pH = 7.4): 0.9627809
• Log P: 1.0658072
• Molar Refractivity: 59.6377 cm^3
• Polarizability: 23.480705 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223908

MP Biomedicals Rare Chemical collection