1-bromo-3-ethoxypropane

• ChemBase ID: 279397
• Molecular Formular: C5H11BrO
• Molecular Mass: 167.04424
• Monoisotopic Mass: 165.99932697
• SMILES: BrCCCOCC
• Canonical SMILES: BrCCCOCC
• InChI: InChI=1S/C5H11BrO/c1-2-7-5-3-4-6/h2-5H2,1H3
• InChIKey: JOZWPJGRGUOZGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-ethoxypropane
• IUPAC Traditional name: 1-bromo-3-ethoxypropane
• Synonyms: 1-bromo-3-ethoxypropane

Database IDs

• MDL Number: MFCD07780182
• PubChem SID: 164335307
• PubChem CID: 260493

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3913022
• LogD (pH = 7.4): 1.3913022
• Log P: 1.3913022
• Molar Refractivity: 34.9533 cm^3
• Polarizability: 13.427298 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.402

Product Information

• Purity: 95%