About 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol
4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol (PubChem CID 169382274) has the molecular formula C19H16N2O
and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol.
Molecular Properties
| Compound Name | 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol |
| PubChem CID | 169382274 |
| Molecular Formula | C19H16N2O |
| Molecular Weight | 288.35 g/mol |
| Exact Mass | 288.13 |
| IUPAC Name | 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol |
| SMILES | Oc1ccc(-c2cccc(C=NNc3ccccc3)c2)cc1 |
| InChI | InChI=1S/C19H16N2O/c22-19-11-9-16(10-12-19)17-6-4-5-15(13-17)14-20-21-18-7-2-1-3-8-18/h1-14,21-22H |
| InChIKey | QJSJNOZLYKKIOZ-UHFFFAOYSA-N |
| XLogP | 4.51 |
| TPSA | 44.62 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 288.35 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'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 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol?
The IUPAC name of 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol (CID 169382274) is 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol.
What is the SMILES notation for 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol?
The canonical SMILES for 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol is Oc1ccc(-c2cccc(C=NNc3ccccc3)c2)cc1.
What is the InChIKey of 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol?
The InChIKey is QJSJNOZLYKKIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19-11-9-16(10-12-19)17-6-4-5-15(13-17)14-20-21-18-7-2-1-3-8-18/h1-14,21-22H.
What are the key properties of 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol?
4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol is sourced from PubChem (CID 169382274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).