About [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol
[3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol (PubChem CID 169385400) has the molecular formula C20H20N2O
and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol.
Molecular Properties
| Compound Name | [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol |
| PubChem CID | 169385400 |
| Molecular Formula | C20H20N2O |
| Molecular Weight | 304.39 g/mol |
| Exact Mass | 304.16 |
| IUPAC Name | [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol |
| SMILES | OCc1cccc(-c2ccc(CNNc3ccccc3)cc2)c1 |
| InChI | InChI=1S/C20H20N2O/c23-15-17-5-4-6-19(13-17)18-11-9-16(10-12-18)14-21-22-20-7-2-1-3-8-20/h1-13,21-23H,14-15H2 |
| InChIKey | LXQXOJRYJJDUKR-UHFFFAOYSA-N |
| XLogP | 3.96 |
| TPSA | 44.29 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 304.39 |
| LogP ≤ 5 | 3.96 |
| 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-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol?
The IUPAC name of [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol (CID 169385400) is [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol.
What is the SMILES notation for [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol?
The canonical SMILES for [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol is OCc1cccc(-c2ccc(CNNc3ccccc3)cc2)c1.
What is the InChIKey of [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol?
The InChIKey is LXQXOJRYJJDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-15-17-5-4-6-19(13-17)18-11-9-16(10-12-18)14-21-22-20-7-2-1-3-8-20/h1-13,21-23H,14-15H2.
What are the key properties of [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol?
[3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol has a molecular weight of 304.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(2-phenylhydrazinyl)methyl]phenyl]phenyl]methanol is sourced from PubChem (CID 169385400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).