About 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol
3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol (PubChem CID 169385182) has the molecular formula C19H18N2O
and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol.
Molecular Properties
| Compound Name | 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol |
| PubChem CID | 169385182 |
| Molecular Formula | C19H18N2O |
| Molecular Weight | 290.37 g/mol |
| Exact Mass | 290.14 |
| IUPAC Name | 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol |
| SMILES | Oc1cccc(-c2cccc(CNNc3ccccc3)c2)c1 |
| InChI | InChI=1S/C19H18N2O/c22-19-11-5-8-17(13-19)16-7-4-6-15(12-16)14-20-21-18-9-2-1-3-10-18/h1-13,20-22H,14H2 |
| InChIKey | USRLXNSTRQRXGE-UHFFFAOYSA-N |
| XLogP | 4.18 |
| TPSA | 44.29 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 290.37 |
| LogP ≤ 5 | 4.18 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol?
The IUPAC name of 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol (CID 169385182) is 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol.
What is the SMILES notation for 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol?
The canonical SMILES for 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol is Oc1cccc(-c2cccc(CNNc3ccccc3)c2)c1.
What is the InChIKey of 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol?
The InChIKey is USRLXNSTRQRXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19-11-5-8-17(13-19)16-7-4-6-15(12-16)14-20-21-18-9-2-1-3-10-18/h1-13,20-22H,14H2.
What are the key properties of 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol?
3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol has a molecular weight of 290.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-phenylhydrazinyl)methyl]phenyl]phenol is sourced from PubChem (CID 169385182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).