4-chloroadamantan-1-ol

• ChemBase ID: 83477
• Molecular Formular: C10H15ClO
• Molecular Mass: 186.6785
• Monoisotopic Mass: 186.08114278
• SMILES: OC12CC3CC(C1)CC(C2)[C@@H]3Cl
• Canonical SMILES: Cl[C@@H]1C2CC3CC1CC(C2)(C3)O
• InChI: InChI=1S/C10H15ClO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5H2/t6?,7?,8?,9-,10?
• InChIKey: SQFWORKEUYQZGS-UHATZWDWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloroadamantan-1-ol
• IUPAC Traditional name: 4-chloroadamantan-1-ol
• Synonyms: 4-chloroadamantan-1-ol

Database IDs

• MDL Number: MFCD00167881
• PubChem SID: 162070595
• PubChem CID: 565187

CALCULATED PROPERTIES

• Acid pKa: 14.750721
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6966101
• LogD (pH = 7.4): 1.6966101
• Log P: 1.6966101
• Molar Refractivity: 48.4446 cm^3
• Polarizability: 19.415052 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true