2-methoxy-5-propylphenol

• ChemBase ID: 119213
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: c1(c(ccc(c1)CCC)OC)O
• Canonical SMILES: CCCc1ccc(c(c1)O)OC
• InChI: InChI=1S/C10H14O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h5-7,11H,3-4H2,1-2H3
• InChIKey: TZUORCZPIKYDQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-propylphenol
• IUPAC Traditional name: 2-methoxy-5-propylphenol
• Synonyms: 2-methoxy-5-propylphenol

Database IDs

• PubChem SID: 162107420
• PubChem CID: 94585

CALCULATED PROPERTIES

• Acid pKa: 10.048214
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9145558
• LogD (pH = 7.4): 2.913599
• Log P: 2.914568
• Molar Refractivity: 48.7453 cm^3
• Polarizability: 18.89625 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true