[4-(hexyloxy)phenyl]methanol

• ChemBase ID: 279005
• Molecular Formular: C13H20O2
• Molecular Mass: 208.2967
• Monoisotopic Mass: 208.14632988
• SMILES: c1(ccc(cc1)CO)OCCCCCC
• Canonical SMILES: CCCCCCOc1ccc(cc1)CO
• InChI: InChI=1S/C13H20O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,14H,2-5,10-11H2,1H3
• InChIKey: XGKWWRJIRRINEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(hexyloxy)phenyl]methanol
• IUPAC Traditional name: [4-(hexyloxy)phenyl]methanol
• Synonyms: [4-(hexyloxy)phenyl]methanol

Database IDs

• MDL Number: MFCD00270319
• PubChem SID: 164334915
• PubChem CID: 3895948

CALCULATED PROPERTIES

• Acid pKa: 15.021567
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2612612
• LogD (pH = 7.4): 3.2612612
• Log P: 3.2612612
• Molar Refractivity: 62.4127 cm^3
• Polarizability: 24.515675 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Hydrophobicity(logP): 3.668

Product Information

• Purity: 95%