2-methoxy-6-methylphenol

• ChemBase ID: 78819
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: Oc1c(cccc1OC)C
• Canonical SMILES: COc1cccc(c1O)C
• InChI: InChI=1S/C8H10O2/c1-6-4-3-5-7(10-2)8(6)9/h3-5,9H,1-2H3
• InChIKey: WBHAUHHMPXBZCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-methylphenol
• IUPAC Traditional name: 2-methoxy-6-methylphenol
• Synonyms: 2-Hydroxy-3-methylanisole; 2-Hydroxy-3-methoxytoluene; 6-Methoxy-o-cresol; 2-Methoxy-6-methylphenol

Database IDs

• CAS Number: 2896-67-5
• MDL Number: MFCD00043771
• PubChem SID: 162043582
• PubChem CID: 76173

CALCULATED PROPERTIES

• Acid pKa: 10.367343
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0254247
• LogD (pH = 7.4): 2.0249655
• Log P: 2.0254307
• Molar Refractivity: 39.5433 cm^3
• Polarizability: 15.214273 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic