2-(2-bromophenoxy)ethan-1-ol

• ChemBase ID: 275659
• Molecular Formular: C8H9BrO2
• Molecular Mass: 217.05986
• Monoisotopic Mass: 215.97859153
• SMILES: c1(c(OCCO)cccc1)Br
• Canonical SMILES: OCCOc1ccccc1Br
• InChI: InChI=1S/C8H9BrO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
• InChIKey: KKLBXMUYKQBAAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromophenoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-bromophenoxy)ethanol
• Synonyms: 2-(2-bromophenoxy)ethan-1-ol

Database IDs

• MDL Number: MFCD11147863
• PubChem SID: 164331569
• PubChem CID: 11106802

CALCULATED PROPERTIES

• Acid pKa: 15.1020975
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8942251
• LogD (pH = 7.4): 1.8942251
• Log P: 1.8942251
• Molar Refractivity: 46.4363 cm^3
• Polarizability: 18.170458 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.961

Product Information

• Purity: 95%