1-(2,5-dimethylphenyl)ethan-1-ol

• ChemBase ID: 297058
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: Cc1ccc(c(c1)C(C)O)C
• Canonical SMILES: Cc1ccc(c(c1)C(O)C)C
• InChI: InChI=1S/C10H14O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9,11H,1-3H3
• InChIKey: VHLZFCOCNJEXTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-dimethylphenyl)ethan-1-ol
• IUPAC Traditional name: 1-(2,5-dimethylphenyl)ethanol
• Synonyms: 1-(2,5-Dimethylphenyl)ethanol; 1-(2,5-二甲基苯基)乙醇

Database IDs

• CAS Number: 32917-52-5
• MDL Number: MFCD00016855
• PubChem SID: 180682589
• PubChem CID: 118010

CALCULATED PROPERTIES

• Acid pKa: 14.845887
• 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: 18.172081 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%