(3-methoxy-2-methylphenyl)methanol

• ChemBase ID: 65452
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: c1cc(c(c(c1)CO)C)OC
• Canonical SMILES: OCc1cccc(c1C)OC
• InChI: InChI=1S/C9H12O2/c1-7-8(6-10)4-3-5-9(7)11-2/h3-5,10H,6H2,1-2H3
• InChIKey: CRKISCPFEDTNCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-2-methylphenyl)methanol
• IUPAC Traditional name: (3-methoxy-2-methylphenyl)methanol
• Synonyms: (3-Methoxy-2-methylphenyl)methanol

Database IDs

• CAS Number: 33797-34-1
• MDL Number: MFCD12031988
• PubChem SID: 162031191
• PubChem CID: 15578709

CALCULATED PROPERTIES

• Acid pKa: 14.967167
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5616462
• LogD (pH = 7.4): 1.5616461
• Log P: 1.5616462
• Molar Refractivity: 44.3783 cm^3
• Polarizability: 17.063862 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 66 °C; 63-66°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%