About 1-(4-phenoxyphenyl)-N-phenylmethanimine
1-(4-phenoxyphenyl)-N-phenylmethanimine (PubChem CID 690951) has the molecular formula C19H15NO
and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-N-phenylmethanimine.
Molecular Properties
| Compound Name | 1-(4-phenoxyphenyl)-N-phenylmethanimine |
| PubChem CID | 690951 |
| Molecular Formula | C19H15NO |
| Molecular Weight | 273.33 g/mol |
| Exact Mass | 273.12 |
| IUPAC Name | 1-(4-phenoxyphenyl)-N-phenylmethanimine |
| SMILES | C(=N/c1ccccc1)\c1ccc(Oc2ccccc2)cc1 |
| InChI | InChI=1S/C19H15NO/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h1-15H/b20-15+ |
| InChIKey | PBEQUZNFMPJFMJ-HMMYKYKNSA-N |
| XLogP | 5.23 |
| TPSA | 21.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 273.33 |
| LogP ≤ 5 | 5.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-phenoxyphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(4-phenoxyphenyl)-N-phenylmethanimine (CID 690951) is 1-(4-phenoxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(4-phenoxyphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(4-phenoxyphenyl)-N-phenylmethanimine is C(=N/c1ccccc1)\c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-N-phenylmethanimine?
The InChIKey is PBEQUZNFMPJFMJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H15NO/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h1-15H/b20-15+.
What are the key properties of 1-(4-phenoxyphenyl)-N-phenylmethanimine?
1-(4-phenoxyphenyl)-N-phenylmethanimine has a molecular weight of 273.33 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 690951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).