About 3,4-dimethylphenazin-2-ol
3,4-dimethylphenazin-2-ol (PubChem CID 136700372) has the molecular formula C14H12N2O
and a molecular weight of 224.26 g/mol. Its IUPAC name is 3,4-dimethylphenazin-2-ol.
Molecular Properties
| Compound Name | 3,4-dimethylphenazin-2-ol |
| PubChem CID | 136700372 |
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.26 g/mol |
| Exact Mass | 224.09 |
| IUPAC Name | 3,4-dimethylphenazin-2-ol |
| SMILES | Cc1c(O)cc2nc3ccccc3nc2c1C |
| InChI | InChI=1S/C14H12N2O/c1-8-9(2)14-12(7-13(8)17)15-10-5-3-4-6-11(10)16-14/h3-7,17H,1-2H3 |
| InChIKey | IRLJDNCKJGVEPP-UHFFFAOYSA-N |
| XLogP | 3.11 |
| TPSA | 46.01 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.26 |
| LogP ≤ 5 | 3.11 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3,4-dimethylphenazin-2-ol?
The IUPAC name of 3,4-dimethylphenazin-2-ol (CID 136700372) is 3,4-dimethylphenazin-2-ol.
What is the SMILES notation for 3,4-dimethylphenazin-2-ol?
The canonical SMILES for 3,4-dimethylphenazin-2-ol is Cc1c(O)cc2nc3ccccc3nc2c1C.
What is the InChIKey of 3,4-dimethylphenazin-2-ol?
The InChIKey is IRLJDNCKJGVEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-8-9(2)14-12(7-13(8)17)15-10-5-3-4-6-11(10)16-14/h3-7,17H,1-2H3.
What are the key properties of 3,4-dimethylphenazin-2-ol?
3,4-dimethylphenazin-2-ol has a molecular weight of 224.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylphenazin-2-ol is sourced from PubChem (CID 136700372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).