(2-bromo-6-methylphenyl)methanol

• ChemBase ID: 287671
• Molecular Formular: C8H9BrO
• Molecular Mass: 201.06046
• Monoisotopic Mass: 199.98367691
• SMILES: OCc1c(C)cccc1Br
• Canonical SMILES: OCc1c(C)cccc1Br
• InChI: InChI=1S/C8H9BrO/c1-6-3-2-4-8(9)7(6)5-10/h2-4,10H,5H2,1H3
• InChIKey: KNFRYGLEEJNMJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-6-methylphenyl)methanol
• IUPAC Traditional name: (2-bromo-6-methylphenyl)methanol
• Synonyms: (2-Bromo-6-methylphenyl)methanol; (2-Bromo-6-methyl-phenyl)-methanol

Database IDs

• CAS Number: 1055969-07-7
• PubChem SID: 180673202
• PubChem CID: 52987705

CALCULATED PROPERTIES

• Acid pKa: 14.820517
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.48807
• LogD (pH = 7.4): 2.48807
• Log P: 2.48807
• Molar Refractivity: 45.5379 cm^3
• Polarizability: 17.337729 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%