6-ethylnaphthalen-2-ol

• ChemBase ID: 286801
• Molecular Formular: C12H12O
• Molecular Mass: 172.22308
• Monoisotopic Mass: 172.088815
• SMILES: CCc1cc2c(cc1)cc(O)cc2
• Canonical SMILES: CCc1ccc2c(c1)ccc(c2)O
• InChI: InChI=1S/C12H12O/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8,13H,2H2,1H3
• InChIKey: UMFMPNDTINUJER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylnaphthalen-2-ol
• IUPAC Traditional name: 6-ethylnaphthalen-2-ol
• Synonyms: 6-Ethyl-2-naphthalenol

Database IDs

• CAS Number: 1999-64-0
• MDL Number: MFCD07368645
• PubChem SID: 180672332
• PubChem CID: 20541757

CALCULATED PROPERTIES

• Acid pKa: 9.789713
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.617125
• LogD (pH = 7.4): 3.615391
• Log P: 3.6171472
• Molar Refractivity: 54.1313 cm^3
• Polarizability: 22.151419 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%