4-methoxy-2-methylphenol

• ChemBase ID: 289376
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: COc1ccc(O)c(C)c1
• Canonical SMILES: COc1ccc(c(c1)C)O
• InChI: InChI=1S/C8H10O2/c1-6-5-7(10-2)3-4-8(6)9/h3-5,9H,1-2H3
• InChIKey: PKDVWOVKDPEBQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-methylphenol
• IUPAC Traditional name: 4-methoxy-2-methylphenol
• Synonyms: 4-Hydroxy-3-methylanisol; 4-Methoxy-2-Methylphenol

Database IDs

• CAS Number: 5307-05-1
• MDL Number: MFCD11055138
• PubChem SID: 180674907
• PubChem CID: 12483497

CALCULATED PROPERTIES

• Acid pKa: 10.3078
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.025424
• LogD (pH = 7.4): 2.0248966
• Log P: 2.0254307
• Molar Refractivity: 39.5433 cm^3
• Polarizability: 15.211897 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%