2-bromocyclohexan-1-ol

• ChemBase ID: 243620
• Molecular Formular: C6H11BrO
• Molecular Mass: 179.05494
• Monoisotopic Mass: 177.99932697
• SMILES: C1(C(O)CCCC1)Br
• Canonical SMILES: OC1CCCCC1Br
• InChI: InChI=1S/C6H11BrO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2
• InChIKey: AAMCLCZHZXKWRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromocyclohexan-1-ol
• IUPAC Traditional name: 2-bromocyclohexan-1-ol
• Synonyms: 2-bromocyclohexan-1-ol

Database IDs

• MDL Number: MFCD18431043
• PubChem SID: 164299530
• PubChem CID: 266411

CALCULATED PROPERTIES

• Acid pKa: 14.15892
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.745877
• LogD (pH = 7.4): 1.7458769
• Log P: 1.745877
• Molar Refractivity: 36.6715 cm^3
• Polarizability: 14.476669 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.59

Product Information

• Purity: 95%