About 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135478768) has the molecular formula C15H14N2O
and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol.
Molecular Properties
| Compound Name | 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol |
| PubChem CID | 135478768 |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.29 g/mol |
| Exact Mass | 238.11 |
| IUPAC Name | 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol |
| SMILES | Cc1ccccc1/C=N\N=C\c1ccccc1O |
| InChI | InChI=1S/C15H14N2O/c1-12-6-2-3-7-13(12)10-16-17-11-14-8-4-5-9-15(14)18/h2-11,18H,1H3/b16-10-,17-11+ |
| InChIKey | AXTWCFQDMCJSPL-VRNBXGKJSA-N |
| XLogP | 3.15 |
| TPSA | 44.95 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.29 |
| LogP ≤ 5 | 3.15 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hzone_phenol_A(479)', '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 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol (CID 135478768) is 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol is Cc1ccccc1/C=N\N=C\c1ccccc1O.
What is the InChIKey of 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is AXTWCFQDMCJSPL-VRNBXGKJSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12-6-2-3-7-13(12)10-16-17-11-14-8-4-5-9-15(14)18/h2-11,18H,1H3/b16-10-,17-11+.
What are the key properties of 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol?
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 238.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135478768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).