(1S)-1-(naphthalen-1-yl)ethan-1-ol

• ChemBase ID: 798112
• Molecular Formular: C12H12O
• Molecular Mass: 172.22308
• Monoisotopic Mass: 172.088815
• SMILES: [C@@H](O)(c1c2ccccc2ccc1)C
• Canonical SMILES: C[C@@H](c1cccc2c1cccc2)O
• InChI: InChI=1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3/t9-/m0/s1
• InChIKey: CDRQOYRPWJULJN-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(naphthalen-1-yl)ethan-1-ol
• IUPAC Traditional name: (1S)-1-(naphthalen-1-yl)ethanol
• Synonyms: (s)-(-)-alpha-methyl-1-Naphthalenemethanol; (S)-1-Naphthalen-1-yl-ethanol

Database IDs

• CAS Number: 15914-84-8

CALCULATED PROPERTIES

• Log P: 2.6119478
• Molar Refractivity: 53.7429 cm^3
• Polarizability: 22.248968 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.899234
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6119478
• LogD (pH = 7.4): 2.6119478

PROPERTIES

Product Information

• Purity: 97%