7-(bromomethyl)bicyclo[3.2.1]octan-2-ol

• ChemBase ID: 83501
• Molecular Formular: C9H15BrO
• Molecular Mass: 219.1188
• Monoisotopic Mass: 218.0306271
• SMILES: OC1C2C(CC(C2)CC1)CBr
• Canonical SMILES: BrCC1CC2CC1C(O)CC2
• InChI: InChI=1S/C9H15BrO/c10-5-7-3-6-1-2-9(11)8(7)4-6/h6-9,11H,1-5H2
• InChIKey: ZGZKEENVMYNWHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
• IUPAC Traditional name: 7-(bromomethyl)bicyclo[3.2.1]octan-2-ol
• Synonyms: 7-(bromomethyl)bicyclo[3.2.1]octan-2-ol

Database IDs

• MDL Number: MFCD00101842
• PubChem SID: 162070619
• PubChem CID: 565013

CALCULATED PROPERTIES

• Acid pKa: 14.940053
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9373409
• LogD (pH = 7.4): 1.9373409
• Log P: 1.9373409
• Molar Refractivity: 48.9283 cm^3
• Polarizability: 19.196552 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true