2-methyl-6-propylphenol

• ChemBase ID: 118911
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: c1(c(cccc1CCC)C)O
• Canonical SMILES: CCCc1cccc(c1O)C
• InChI: InChI=1S/C10H14O/c1-3-5-9-7-4-6-8(2)10(9)11/h4,6-7,11H,3,5H2,1-2H3
• InChIKey: NXSQQKKFGJHACS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-propylphenol
• IUPAC Traditional name: 2-methyl-6-propylphenol
• Synonyms: 2-methyl-6-propylphenol

Database IDs

• CAS Number: 3520-52-3
• MDL Number: MFCD00086137
• PubChem SID: 162102783
• PubChem CID: 248475

CALCULATED PROPERTIES

• Acid pKa: 10.656164
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5856576
• LogD (pH = 7.4): 3.585421
• Log P: 3.5856607
• Molar Refractivity: 47.3233 cm^3
• Polarizability: 18.163729 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%