1-(2,6-dimethylphenyl)ethan-1-ol

• ChemBase ID: 245258
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: c1(c(cccc1C)C)C(O)C
• Canonical SMILES: CC(c1c(C)cccc1C)O
• InChI: InChI=1S/C10H14O/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6,9,11H,1-3H3
• InChIKey: BFLGMBBJIHKTAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethylphenyl)ethan-1-ol
• IUPAC Traditional name: 1-(2,6-dimethylphenyl)ethanol
• Synonyms: 1-(2,6-dimethylphenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD00016856
• PubChem SID: 164301168
• PubChem CID: 86877

CALCULATED PROPERTIES

• Acid pKa: 14.8344965
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.649314
• LogD (pH = 7.4): 2.649314
• Log P: 2.649314
• Molar Refractivity: 47.3751 cm^3
• Polarizability: 18.172766 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 2.311

Product Information

• Purity: 95%