2-(morpholin-3-yl)-1-phenylethan-1-ol

• ChemBase ID: 238835
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: C(C(c1ccccc1)O)C1NCCOC1
• Canonical SMILES: OC(c1ccccc1)CC1NCCOC1
• InChI: InChI=1S/C12H17NO2/c14-12(10-4-2-1-3-5-10)8-11-9-15-7-6-13-11/h1-5,11-14H,6-9H2
• InChIKey: OTPGHSWEBWKQDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-1-phenylethan-1-ol
• IUPAC Traditional name: 2-(morpholin-3-yl)-1-phenylethanol
• Synonyms: 2-(morpholin-3-yl)-1-phenylethan-1-ol

Database IDs

• MDL Number: MFCD22378643
• PubChem SID: 164294745
• PubChem CID: 71756244

CALCULATED PROPERTIES

• Acid pKa: 14.430406
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5500108
• LogD (pH = 7.4): 0.17593782
• Log P: 0.80248606
• Molar Refractivity: 58.8786 cm^3
• Polarizability: 23.480877 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.768

Product Information

• Purity: 95%