About 4-amino-2-bromo-3,6-dimethylphenol
4-amino-2-bromo-3,6-dimethylphenol (PubChem CID 19841458) has the molecular formula C8H10BrNO
and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-amino-2-bromo-3,6-dimethylphenol.
Molecular Properties
| Compound Name | 4-amino-2-bromo-3,6-dimethylphenol |
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| PubChem CID | 19841458 |
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| Molecular Formula | C8H10BrNO |
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| Molecular Weight | 216.08 g/mol |
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| Exact Mass | 214.99 |
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| IUPAC Name | 4-amino-2-bromo-3,6-dimethylphenol |
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| SMILES | Cc1cc(N)c(C)c(Br)c1O |
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| InChI | InChI=1S/C8H10BrNO/c1-4-3-6(10)5(2)7(9)8(4)11/h3,11H,10H2,1-2H3 |
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| InChIKey | YDKWHCLUFOBYCO-UHFFFAOYSA-N |
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| XLogP | 2.35 |
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| TPSA | 46.25 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 216.08 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-amino-2-bromo-3,6-dimethylphenol?
The IUPAC name of 4-amino-2-bromo-3,6-dimethylphenol (CID 19841458) is 4-amino-2-bromo-3,6-dimethylphenol.
What is the SMILES notation for 4-amino-2-bromo-3,6-dimethylphenol?
The canonical SMILES for 4-amino-2-bromo-3,6-dimethylphenol is Cc1cc(N)c(C)c(Br)c1O.
What is the InChIKey of 4-amino-2-bromo-3,6-dimethylphenol?
The InChIKey is YDKWHCLUFOBYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-4-3-6(10)5(2)7(9)8(4)11/h3,11H,10H2,1-2H3.
What are the key properties of 4-amino-2-bromo-3,6-dimethylphenol?
4-amino-2-bromo-3,6-dimethylphenol has a molecular weight of 216.08 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-3,6-dimethylphenol is sourced from PubChem (CID 19841458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).