About [ethoxy(diphenyl)methyl]-methyldiazene
[ethoxy(diphenyl)methyl]-methyldiazene (PubChem CID 167530455) has the molecular formula C16H18N2O
and a molecular weight of 254.33 g/mol. Its IUPAC name is [ethoxy(diphenyl)methyl]-methyldiazene.
Molecular Properties
| Compound Name | [ethoxy(diphenyl)methyl]-methyldiazene |
| PubChem CID | 167530455 |
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.33 g/mol |
| Exact Mass | 254.14 |
| IUPAC Name | [ethoxy(diphenyl)methyl]-methyldiazene |
| SMILES | CCOC(/N=N/C)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C16H18N2O/c1-3-19-16(18-17-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3/b18-17+ |
| InChIKey | HDJXDCNVQNWCGL-ISLYRVAYSA-N |
| XLogP | 4.01 |
| TPSA | 33.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.33 |
| LogP ≤ 5 | 4.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [ethoxy(diphenyl)methyl]-methyldiazene?
The IUPAC name of [ethoxy(diphenyl)methyl]-methyldiazene (CID 167530455) is [ethoxy(diphenyl)methyl]-methyldiazene.
What is the SMILES notation for [ethoxy(diphenyl)methyl]-methyldiazene?
The canonical SMILES for [ethoxy(diphenyl)methyl]-methyldiazene is CCOC(/N=N/C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [ethoxy(diphenyl)methyl]-methyldiazene?
The InChIKey is HDJXDCNVQNWCGL-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-19-16(18-17-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3/b18-17+.
What are the key properties of [ethoxy(diphenyl)methyl]-methyldiazene?
[ethoxy(diphenyl)methyl]-methyldiazene has a molecular weight of 254.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(diphenyl)methyl]-methyldiazene is sourced from PubChem (CID 167530455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).