(4-methylnaphthalen-1-yl)methanol

• ChemBase ID: 797951
• Molecular Formular: C12H12O
• Molecular Mass: 172.22308
• Monoisotopic Mass: 172.088815
• SMILES: C(O)c1c2ccccc2c(cc1)C
• Canonical SMILES: OCc1ccc(c2c1cccc2)C
• InChI: InChI=1S/C12H12O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7,13H,8H2,1H3
• InChIKey: RRSGUDDGNKMFRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylnaphthalen-1-yl)methanol
• IUPAC Traditional name: (4-methylnaphthalen-1-yl)methanol
• Synonyms: (4-Methyl-naphthalen-1-yl)-methanol

Database IDs

• CAS Number: 57322-44-8

CALCULATED PROPERTIES

• Acid pKa: 15.179602
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.708794
• LogD (pH = 7.4): 2.708794
• Log P: 2.708794
• Molar Refractivity: 54.3653 cm^3
• Polarizability: 22.16501 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%