(4-propylphenyl)methanol

• ChemBase ID: 247863
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: c1(ccc(cc1)CCC)CO
• Canonical SMILES: CCCc1ccc(cc1)CO
• InChI: InChI=1S/C10H14O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7,11H,2-3,8H2,1H3
• InChIKey: TZZUWLNIZBCCGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-propylphenyl)methanol
• IUPAC Traditional name: 4-propylbenzyl alcohol
• Synonyms: (4-propylphenyl)methanol

Database IDs

• MDL Number: MFCD06201146
• PubChem SID: 164303773
• PubChem CID: 2760472

CALCULATED PROPERTIES

• Acid pKa: 15.053401
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6084547
• LogD (pH = 7.4): 2.6084547
• Log P: 2.6084547
• Molar Refractivity: 47.1171 cm^3
• Polarizability: 18.25168 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.661

Product Information

• Purity: 95%