1-(4-bromophenyl)-2-(morpholin-4-yl)ethan-1-ol

• ChemBase ID: 311213
• Molecular Formular: C12H16BrNO2
• Molecular Mass: 286.16494
• Monoisotopic Mass: 285.03644076
• SMILES: N1(CC(c2ccc(cc2)Br)O)CCOCC1
• Canonical SMILES: OC(c1ccc(cc1)Br)CN1CCOCC1
• InChI: InChI=1S/C12H16BrNO2/c13-11-3-1-10(2-4-11)12(15)9-14-5-7-16-8-6-14/h1-4,12,15H,5-9H2
• InChIKey: UNUPAQJKAROMHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)-2-(morpholin-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-(4-bromophenyl)-2-(morpholin-4-yl)ethanol
• Synonyms: 1-(4-bromophenyl)-2-morpholin-4-ylethanol

Database IDs

• CAS Number: 7155-26-2
• MDL Number: MFCD01831634

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6338433
• LogD (pH = 7.4): 1.7596927
• Log P: 1.8345598
• Molar Refractivity: 67.2605 cm^3
• Polarizability: 26.260344 Å^3
• Polar Surface Area: 32.7 Å^2