4-methoxy-3-methylphenol

• ChemBase ID: 278755
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: c1(c(ccc(c1)O)OC)C
• Canonical SMILES: COc1ccc(cc1C)O
• InChI: InChI=1S/C8H10O2/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
• InChIKey: ILASIIGKRFKNQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-methylphenol
• IUPAC Traditional name: 4-methoxy-3-methylphenol
• Synonyms: 4-methoxy-3-methylphenol

Database IDs

• MDL Number: MFCD09836708
• PubChem SID: 164334665
• PubChem CID: 297394

CALCULATED PROPERTIES

• Acid pKa: 10.071048
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.025419
• LogD (pH = 7.4): 2.0245101
• Log P: 2.0254307
• Molar Refractivity: 39.5433 cm^3
• Polarizability: 15.211928 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.073

Product Information

• Purity: 95%