1-(4-Bromo-2,3,5,6-tetramethylphenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
Basic information
- CAS
73932-55-5- Standard SMILES
Cc1c(C)c(C(O)Cn2ccnc2)c(C)c(C)c1Br- InChIKey
YEBGGVIFUPJPGG-UHFFFAOYSA-N- Molecular formula
- C15H19BrN2O
- Average molar mass
- 323.23 g/mol
- Monoisotopic mass
- 322.06808
Names & identifiers
- Preferred name
- 1-(4-Bromo-2,3,5,6-tetramethylphenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
- IUPAC
- 1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanol
- English name
- 1H-Imidazole-1-ethanol, alpha-(4-bromo-2,3,5,6-tetramethylphenyl)-
- Molecular formula
- C15H19BrN2O
- Molecular weight
- 323.23
Names & synonyms
73932-55-5DTXSID209951411-(4-Bromo-2,3,5,6-tetramethylphenyl)-2-(1H-imidazol-1-yl)ethan-1-olRefChem:1054293DTXCID001422170alpha-(4-Bromo-2,3,5,6-tetramethylphenyl)-1H-imidazole-1-ethanol1H-Imidazole-1-ethanol, alpha-(4-bromo-2,3,5,6-tetramethylphenyl)-1H-Imidazole-1-ethanol, α-(4-bromo-2,3,5,6-tetramethylphenyl)-
Database identifiers
- CAS
73932-55-5- PubChem CID
- 206016
- DTXSID
DTXSID20995141
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 512.8 · 512.8±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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