(3-methoxy-4-methylphenyl)methanol

• ChemBase ID: 112905
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: c1(c(ccc(c1)CO)C)OC
• Canonical SMILES: COc1cc(CO)ccc1C
• InChI: InChI=1S/C9H12O2/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5,10H,6H2,1-2H3
• InChIKey: SHVDSQSUDVJXEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxy-4-methylphenyl)methanol
• IUPAC Traditional name: (3-methoxy-4-methylphenyl)methanol
• Synonyms: (3-methoxy-4-methylphenyl)methanol

Database IDs

• CAS Number: 4685-50-1
• MDL Number: MFCD06797828
• PubChem SID: 162098270
• PubChem CID: 11744818

CALCULATED PROPERTIES

• Acid pKa: 14.990519
• 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: 17.063524 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: oil °C
• Hydrophobicity(logP): 1.522

Product Information

• Purity: >97%; 95%