methyl 2-(2-benzoylphenyl)-2-diazoacetate

C16H12N2O3 — CID 170698863

IUPACmethyl 2-(2-benzoylphenyl)-2-diazoacetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-21-16(20)14(18-17)12-9-5-6-10-13(12)15(19)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyKMNKZWJRWPZDJH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-(2-benzoylphenyl)-2-diazoacetate

methyl 2-(2-benzoylphenyl)-2-diazoacetate (PubChem CID 170698863) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 2-(2-benzoylphenyl)-2-diazoacetate.

Molecular Properties

Compound Namemethyl 2-(2-benzoylphenyl)-2-diazoacetate
PubChem CID170698863
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namemethyl 2-(2-benzoylphenyl)-2-diazoacetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2O3/c1-21-16(20)14(18-17)12-9-5-6-10-13(12)15(19)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyKMNKZWJRWPZDJH-UHFFFAOYSA-N
XLogP2.11
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.11
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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Related Compounds

[(1Z)-1-acetoxyimino-3-(3-methylbut-2-enyl)-4-oxo-2-naphthyl] acetate
CID 9579445
Methyl 2-([1,1'-biphenyl]-4-yl)-2-diazoacetate
CID 101156966
Methyl 2-diazo-2-[2-(3-fluorophenyl)phenyl]acetate
CID 101809639
Methyl 2-diazo-2-[2-[3-(trifluoromethyl)phenyl]phenyl]acetate
CID 101809646
Methyl 2-diazo-2-[2-[3-(trifluoromethyl)benzoyl]phenyl]acetate
CID 137292064
Methyl 2-diazo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 139254066
Methyl 2-diazo-6-oxo-6-phenylhexanoate
CID 164687261
Benzeneacetic acid, 2-benzoyl-, methyl ester
CID 12298593
Methyl 2-diazo-2-o-tolylacetate
CID 75094302
Methyl 2-diazo-2-(2-phenylphenyl)acetate
CID 101809641
Ethyl 2-(2-benzoylphenyl)-2-diazoacetate
CID 102221731
Methyl 2-([1,1'-biphenyl]-3-yl)-2-diazoacetate
CID 141288314

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzoylphenyl)-2-diazoacetate?
The IUPAC name of methyl 2-(2-benzoylphenyl)-2-diazoacetate (CID 170698863) is methyl 2-(2-benzoylphenyl)-2-diazoacetate.
What is the SMILES notation for methyl 2-(2-benzoylphenyl)-2-diazoacetate?
The canonical SMILES for methyl 2-(2-benzoylphenyl)-2-diazoacetate is COC(=O)C(=[N+]=[N-])c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-(2-benzoylphenyl)-2-diazoacetate?
The InChIKey is KMNKZWJRWPZDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-16(20)14(18-17)12-9-5-6-10-13(12)15(19)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of methyl 2-(2-benzoylphenyl)-2-diazoacetate?
methyl 2-(2-benzoylphenyl)-2-diazoacetate has a molecular weight of 280.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzoylphenyl)-2-diazoacetate is sourced from PubChem (CID 170698863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).