[3-(benzyloxy)-4-methylphenyl]methanol

• ChemBase ID: 89293
• Molecular Formular: C15H16O2
• Molecular Mass: 228.28634
• Monoisotopic Mass: 228.11502975
• SMILES: OCc1cc(c(cc1)C)OCc1ccccc1
• Canonical SMILES: OCc1ccc(c(c1)OCc1ccccc1)C
• InChI: InChI=1S/C15H16O2/c1-12-7-8-14(10-16)9-15(12)17-11-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3
• InChIKey: GBVCRKCGVJJDFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)-4-methylphenyl]methanol
• IUPAC Traditional name: [3-(benzyloxy)-4-methylphenyl]methanol
• Synonyms: 3-(Benzyloxy)-4-methylbenzyl alcohol; 2-(Benzyloxy)-4-hydroxytoluene; [3-(Benzyloxy)-4-methylphenyl]methanol

Database IDs

• CAS Number: 916792-34-2
• MDL Number: MFCD06658149
• PubChem SID: 162076174
• PubChem CID: 24721056

CALCULATED PROPERTIES

• Acid pKa: 14.986946
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2861192
• LogD (pH = 7.4): 3.2861192
• Log P: 3.2861192
• Molar Refractivity: 68.9909 cm^3
• Polarizability: 26.674252 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant