1-[2-chloro-4-(morpholin-4-yl)phenyl]ethan-1-ol

• ChemBase ID: 239449
• Molecular Formular: C12H16ClNO2
• Molecular Mass: 241.71394
• Monoisotopic Mass: 241.08695644
• SMILES: c1(c(cc(N2CCOCC2)cc1)Cl)C(O)C
• Canonical SMILES: CC(c1ccc(cc1Cl)N1CCOCC1)O
• InChI: InChI=1S/C12H16ClNO2/c1-9(15)11-3-2-10(8-12(11)13)14-4-6-16-7-5-14/h2-3,8-9,15H,4-7H2,1H3
• InChIKey: LTKMTPNTPFSSOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-chloro-4-(morpholin-4-yl)phenyl]ethan-1-ol
• IUPAC Traditional name: 1-[2-chloro-4-(morpholin-4-yl)phenyl]ethanol
• Synonyms: 1-[2-chloro-4-(morpholin-4-yl)phenyl]ethan-1-ol

Database IDs

• MDL Number: MFCD20297144
• PubChem SID: 164295359
• PubChem CID: 64329078

CALCULATED PROPERTIES

• Acid pKa: 14.686108
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1160588
• LogD (pH = 7.4): 2.116059
• Log P: 2.116059
• Molar Refractivity: 65.6006 cm^3
• Polarizability: 24.98064 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.753

Product Information

• Purity: 95%