4-(benzyloxy)-2-methylphenol

• ChemBase ID: 803949
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: c1(c(cc(cc1)OCc1ccccc1)C)O
• Canonical SMILES: Oc1ccc(cc1C)OCc1ccccc1
• InChI: InChI=1S/C14H14O2/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
• InChIKey: DGFFIQHIMIAQFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-2-methylphenol
• IUPAC Traditional name: 4-(benzyloxy)-2-methylphenol
• Synonyms: 4-(BENZYLOXY)-2-METHYLPHENOL

Database IDs

• CAS Number: 53325-49-8

CALCULATED PROPERTIES

• Acid pKa: 10.282082
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7498965
• LogD (pH = 7.4): 3.7493372
• Log P: 3.7499037
• Molar Refractivity: 64.1559 cm^3
• Polarizability: 24.818514 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%