(1R)-1-(4-pentylphenyl)ethan-1-ol

• ChemBase ID: 280773
• Molecular Formular: C13H20O
• Molecular Mass: 192.2973
• Monoisotopic Mass: 192.15141526
• SMILES: c1(ccc(cc1)CCCCC)[C@H](O)C
• Canonical SMILES: CCCCCc1ccc(cc1)[C@H](O)C
• InChI: InChI=1S/C13H20O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-11,14H,3-6H2,1-2H3/t11-/m1/s1
• InChIKey: MVURWJUERXRTAO-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-pentylphenyl)ethan-1-ol
• IUPAC Traditional name: (1R)-1-(4-pentylphenyl)ethanol
• Synonyms: (1R)-1-(4-pentylphenyl)ethanol

Database IDs

• MDL Number: MFCD09863802
• PubChem SID: 180666304
• PubChem CID: 25324485

CALCULATED PROPERTIES

• Acid pKa: 14.835937
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9141672
• LogD (pH = 7.4): 3.9141672
• Log P: 3.9141672
• Molar Refractivity: 60.7379 cm^3
• Polarizability: 23.790928 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.028

Product Information

• Purity: 95%