(8-bromonaphthalen-1-yl)methanol

• ChemBase ID: 83328
• Molecular Formular: C11H9BrO
• Molecular Mass: 237.09256
• Monoisotopic Mass: 235.98367691
• SMILES: Brc1cccc2c1c(ccc2)CO
• Canonical SMILES: OCc1cccc2c1c(Br)ccc2
• InChI: InChI=1S/C11H9BrO/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6,13H,7H2
• InChIKey: CBEFAHWSHVJUKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8-bromonaphthalen-1-yl)methanol
• IUPAC Traditional name: (8-bromonaphthalen-1-yl)methanol
• Synonyms: (8-bromo-1-naphthyl)methanol

Database IDs

• CAS Number: 14938-58-0
• MDL Number: MFCD00099247
• PubChem SID: 162070447
• PubChem CID: 2780087

CALCULATED PROPERTIES

• Acid pKa: 15.110817
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9641254
• LogD (pH = 7.4): 2.9641254
• Log P: 2.9641254
• Molar Refractivity: 56.9469 cm^3
• Polarizability: 22.952368 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true