diphenylmethanone;ethyl 2-diazenylacetate

C17H18N2O3 — CID 174411163

IUPACdiphenylmethanone;ethyl 2-diazenylacetate
SMILESO=C(c1ccccc1)c1ccccc1.[H]/N=N/CC(=O)OCC
InChIInChI=1S/C13H10O.C4H8N2O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-8-4(7)3-6-5/h1-10H;5H,2-3H2,1H3/b;6-5+
InChIKeyQXDXBUCQKLMMLB-MXDQRGINSA-N
MW298.34 g/mol
LogP3.50
Rot. Bonds5

About diphenylmethanone;ethyl 2-diazenylacetate

diphenylmethanone;ethyl 2-diazenylacetate (PubChem CID 174411163) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is diphenylmethanone;ethyl 2-diazenylacetate.

Molecular Properties

Compound Namediphenylmethanone;ethyl 2-diazenylacetate
PubChem CID174411163
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namediphenylmethanone;ethyl 2-diazenylacetate
SMILESO=C(c1ccccc1)c1ccccc1.[H]/N=N/CC(=O)OCC
InChIInChI=1S/C13H10O.C4H8N2O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-8-4(7)3-6-5/h1-10H;5H,2-3H2,1H3/b;6-5+
InChIKeyQXDXBUCQKLMMLB-MXDQRGINSA-N
XLogP3.50
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 diphenylmethanone;ethyl 2-diazenylacetate?
The IUPAC name of diphenylmethanone;ethyl 2-diazenylacetate (CID 174411163) is diphenylmethanone;ethyl 2-diazenylacetate.
What is the SMILES notation for diphenylmethanone;ethyl 2-diazenylacetate?
The canonical SMILES for diphenylmethanone;ethyl 2-diazenylacetate is O=C(c1ccccc1)c1ccccc1.[H]/N=N/CC(=O)OCC.
What is the InChIKey of diphenylmethanone;ethyl 2-diazenylacetate?
The InChIKey is QXDXBUCQKLMMLB-MXDQRGINSA-N. The full InChI is InChI=1S/C13H10O.C4H8N2O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-8-4(7)3-6-5/h1-10H;5H,2-3H2,1H3/b;6-5+.
What are the key properties of diphenylmethanone;ethyl 2-diazenylacetate?
diphenylmethanone;ethyl 2-diazenylacetate has a molecular weight of 298.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;ethyl 2-diazenylacetate is sourced from PubChem (CID 174411163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).