6-(hydroxymethyl)naphthalen-2-ol

• ChemBase ID: 798142
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: C(O)c1ccc2c(ccc(c2)O)c1
• Canonical SMILES: OCc1ccc2c(c1)ccc(c2)O
• InChI: InChI=1S/C11H10O2/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,12-13H,7H2
• InChIKey: KROVHQCEBMIYGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(hydroxymethyl)naphthalen-2-ol
• IUPAC Traditional name: 6-(hydroxymethyl)naphthalen-2-ol
• Synonyms: 6-hydroxy-2-Naphthalenemethanol

Database IDs

• CAS Number: 309752-65-6

CALCULATED PROPERTIES

• Acid pKa: 9.782613
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8917849
• LogD (pH = 7.4): 1.8900224
• Log P: 1.8918074
• Molar Refractivity: 51.305 cm^3
• Polarizability: 20.928734 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%