4-(pentyloxy)phenol

• ChemBase ID: 251098
• Molecular Formular: C11H16O2
• Molecular Mass: 180.24354
• Monoisotopic Mass: 180.11502975
• SMILES: c1(ccc(cc1)OCCCCC)O
• Canonical SMILES: CCCCCOc1ccc(cc1)O
• InChI: InChI=1S/C11H16O2/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8,12H,2-4,9H2,1H3
• InChIKey: JCLFHZLOKITRCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pentyloxy)phenol
• IUPAC Traditional name: phenol, 4-(pentyloxy)-
• Synonyms: 4-(pentyloxy)phenol

Database IDs

• MDL Number: MFCD00044283
• PubChem SID: 164307008
• PubChem CID: 29353

CALCULATED PROPERTIES

• Acid pKa: 9.929979
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2804608
• LogD (pH = 7.4): 3.279204
• Log P: 3.2804768
• Molar Refractivity: 52.9767 cm^3
• Polarizability: 20.816648 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 3.69

Product Information

• Purity: 95%