(8-iodonaphthalen-1-yl)methanol

• ChemBase ID: 83327
• Molecular Formular: C11H9IO
• Molecular Mass: 284.09303
• Monoisotopic Mass: 283.96981291
• SMILES: Ic1cccc2c1c(ccc2)CO
• Canonical SMILES: OCc1cccc2c1c(I)ccc2
• InChI: InChI=1S/C11H9IO/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-6,13H,7H2
• InChIKey: LEZXJGCBDJGUPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8-iodonaphthalen-1-yl)methanol
• IUPAC Traditional name: (8-iodonaphthalen-1-yl)methanol
• Synonyms: (8-iodo-1-naphthyl)methanol

Database IDs

• CAS Number: 85864-84-2
• MDL Number: MFCD00099244
• PubChem SID: 162070446
• PubChem CID: 2780084

CALCULATED PROPERTIES

• Acid pKa: 15.112609
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1243172
• LogD (pH = 7.4): 3.1243172
• Log P: 3.1243172
• Molar Refractivity: 62.6866 cm^3
• Polarizability: 25.253496 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true