About 3-(3-methanehydrazonoylphenyl)phenol
3-(3-methanehydrazonoylphenyl)phenol (PubChem CID 168529657) has the molecular formula C13H12N2O
and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(3-methanehydrazonoylphenyl)phenol.
Molecular Properties
| Compound Name | 3-(3-methanehydrazonoylphenyl)phenol |
| PubChem CID | 168529657 |
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.25 g/mol |
| Exact Mass | 212.09 |
| IUPAC Name | 3-(3-methanehydrazonoylphenyl)phenol |
| SMILES | NN=Cc1cccc(-c2cccc(O)c2)c1 |
| InChI | InChI=1S/C13H12N2O/c14-15-9-10-3-1-4-11(7-10)12-5-2-6-13(16)8-12/h1-9,16H,14H2 |
| InChIKey | GGWIHMUAPMLTQA-UHFFFAOYSA-N |
| XLogP | 2.35 |
| TPSA | 58.61 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.25 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-(3-methanehydrazonoylphenyl)phenol?
The IUPAC name of 3-(3-methanehydrazonoylphenyl)phenol (CID 168529657) is 3-(3-methanehydrazonoylphenyl)phenol.
What is the SMILES notation for 3-(3-methanehydrazonoylphenyl)phenol?
The canonical SMILES for 3-(3-methanehydrazonoylphenyl)phenol is NN=Cc1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of 3-(3-methanehydrazonoylphenyl)phenol?
The InChIKey is GGWIHMUAPMLTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-15-9-10-3-1-4-11(7-10)12-5-2-6-13(16)8-12/h1-9,16H,14H2.
What are the key properties of 3-(3-methanehydrazonoylphenyl)phenol?
3-(3-methanehydrazonoylphenyl)phenol has a molecular weight of 212.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methanehydrazonoylphenyl)phenol is sourced from PubChem (CID 168529657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).