(4-chloro-3-methylphenyl)methanol

• ChemBase ID: 248784
• Molecular Formular: C8H9ClO
• Molecular Mass: 156.60946
• Monoisotopic Mass: 156.03419259
• SMILES: c1(c(ccc(c1)CO)Cl)C
• Canonical SMILES: OCc1ccc(c(c1)C)Cl
• InChI: InChI=1S/C8H9ClO/c1-6-4-7(5-10)2-3-8(6)9/h2-4,10H,5H2,1H3
• InChIKey: ZVUKRMJKVDIQAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06201141
• PubChem SID: 164304694
• PubChem CID: 2757670

CALCULATED PROPERTIES

• Molar Refractivity: 42.7199 cm^3
• Polarizability: 16.409733 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 15.002986
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.323362
• LogD (pH = 7.4): 2.323362
• Log P: 2.323362

PROPERTIES

Physical Property

• Melting Point: 42 - 44°C
• Hydrophobicity(logP): 2.316

Product Information

• Purity: 95%