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

• ChemBase ID: 280779
• Molecular Formular: C14H22O
• Molecular Mass: 206.32388
• Monoisotopic Mass: 206.16706532
• SMILES: c1(ccc(cc1)CCCCCC)[C@H](O)C
• Canonical SMILES: CCCCCCc1ccc(cc1)[C@H](O)C
• InChI: InChI=1S/C14H22O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-12,15H,3-7H2,1-2H3/t12-/m1/s1
• InChIKey: QOWWXERCAKCLCM-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09863804
• PubChem SID: 180666310
• PubChem CID: 25324489

CALCULATED PROPERTIES

• Acid pKa: 14.835937
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3587356
• LogD (pH = 7.4): 4.3587356
• Log P: 4.3587356
• Molar Refractivity: 65.3389 cm^3
• Polarizability: 25.637632 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.557

Product Information

• Purity: 95%