About 2-hydroxy-5-phenylbenzenediazonium
2-hydroxy-5-phenylbenzenediazonium (PubChem CID 86129890) has the molecular formula C12H9N2O+
and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-hydroxy-5-phenylbenzenediazonium.
Molecular Properties
| Compound Name | 2-hydroxy-5-phenylbenzenediazonium |
| PubChem CID | 86129890 |
| Molecular Formula | C12H9N2O+ |
| Molecular Weight | 197.22 g/mol |
| Exact Mass | 197.07 |
| IUPAC Name | 2-hydroxy-5-phenylbenzenediazonium |
| SMILES | N#[N+]c1cc(-c2ccccc2)ccc1O |
| InChI | InChI=1S/C12H8N2O/c13-14-11-8-10(6-7-12(11)15)9-4-2-1-3-5-9/h1-8H/p+1 |
| InChIKey | CFQRWGBVYWMBBL-UHFFFAOYSA-O |
| XLogP | 3.54 |
| TPSA | 48.38 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 197.22 |
| LogP ≤ 5 | 3.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Azo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-hydroxy-5-phenylbenzenediazonium?
The IUPAC name of 2-hydroxy-5-phenylbenzenediazonium (CID 86129890) is 2-hydroxy-5-phenylbenzenediazonium.
What is the SMILES notation for 2-hydroxy-5-phenylbenzenediazonium?
The canonical SMILES for 2-hydroxy-5-phenylbenzenediazonium is N#[N+]c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-phenylbenzenediazonium?
The InChIKey is CFQRWGBVYWMBBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H8N2O/c13-14-11-8-10(6-7-12(11)15)9-4-2-1-3-5-9/h1-8H/p+1.
What are the key properties of 2-hydroxy-5-phenylbenzenediazonium?
2-hydroxy-5-phenylbenzenediazonium has a molecular weight of 197.22 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-phenylbenzenediazonium is sourced from PubChem (CID 86129890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).