(1S)-1-(4-ethylphenyl)ethan-1-ol

• ChemBase ID: 261388
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: c1(ccc(cc1)CC)[C@@H](O)C
• Canonical SMILES: CCc1ccc(cc1)[C@@H](O)C
• InChI: InChI=1S/C10H14O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-8,11H,3H2,1-2H3/t8-/m0/s1
• InChIKey: HZFBZEOPUXCNHK-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(4-ethylphenyl)ethan-1-ol
• IUPAC Traditional name: (1S)-1-(4-ethylphenyl)ethanol
• Synonyms: (1S)-1-(4-ethylphenyl)ethanol

Database IDs

• MDL Number: MFCD09863723
• PubChem SID: 164317298
• PubChem CID: 9855523

CALCULATED PROPERTIES

• Acid pKa: 14.837193
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.580461
• LogD (pH = 7.4): 2.580461
• Log P: 2.580461
• Molar Refractivity: 46.9349 cm^3
• Polarizability: 18.251404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.441

Product Information

• Purity: 95%