ethyl 2-(2-benzoylphenyl)-2-diazoacetate

C17H14N2O3 — CID 102221731

IUPACethyl 2-(2-benzoylphenyl)-2-diazoacetate
SMILESCCOC(=O)C(=[N+]=[N-])c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)15(19-18)13-10-6-7-11-14(13)16(20)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyYRXLXFUHAJXASZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.50
Rot. Bonds5

About ethyl 2-(2-benzoylphenyl)-2-diazoacetate

ethyl 2-(2-benzoylphenyl)-2-diazoacetate (PubChem CID 102221731) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-(2-benzoylphenyl)-2-diazoacetate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylphenyl)-2-diazoacetate
PubChem CID102221731
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-(2-benzoylphenyl)-2-diazoacetate
SMILESCCOC(=O)C(=[N+]=[N-])c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)15(19-18)13-10-6-7-11-14(13)16(20)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyYRXLXFUHAJXASZ-UHFFFAOYSA-N
XLogP2.50
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzoylphenyl)-2-diazoacetate?
The IUPAC name of ethyl 2-(2-benzoylphenyl)-2-diazoacetate (CID 102221731) is ethyl 2-(2-benzoylphenyl)-2-diazoacetate.
What is the SMILES notation for ethyl 2-(2-benzoylphenyl)-2-diazoacetate?
The canonical SMILES for ethyl 2-(2-benzoylphenyl)-2-diazoacetate is CCOC(=O)C(=[N+]=[N-])c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(2-benzoylphenyl)-2-diazoacetate?
The InChIKey is YRXLXFUHAJXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-17(21)15(19-18)13-10-6-7-11-14(13)16(20)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(2-benzoylphenyl)-2-diazoacetate?
ethyl 2-(2-benzoylphenyl)-2-diazoacetate has a molecular weight of 294.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzoylphenyl)-2-diazoacetate is sourced from PubChem (CID 102221731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).