methyl 2-diazo-2-(2-ethoxyphenyl)acetate

C11H12N2O3 — CID 101119436

IUPACmethyl 2-diazo-2-(2-ethoxyphenyl)acetate
SMILESCCOc1ccccc1C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C11H12N2O3/c1-3-16-9-7-5-4-6-8(9)10(13-12)11(14)15-2/h4-7H,3H2,1-2H3
InChIKeyXZQILPCITMHQPT-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.28
Rot. Bonds4

About methyl 2-diazo-2-(2-ethoxyphenyl)acetate

methyl 2-diazo-2-(2-ethoxyphenyl)acetate (PubChem CID 101119436) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 2-diazo-2-(2-ethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-(2-ethoxyphenyl)acetate
PubChem CID101119436
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 2-diazo-2-(2-ethoxyphenyl)acetate
SMILESCCOc1ccccc1C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C11H12N2O3/c1-3-16-9-7-5-4-6-8(9)10(13-12)11(14)15-2/h4-7H,3H2,1-2H3
InChIKeyXZQILPCITMHQPT-UHFFFAOYSA-N
XLogP1.28
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.28
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

methyl 2-(1-diazo-2-ethoxy-2-oxoethyl)benzoate
CID 153308839
methyl 2-diazo-2-[2-(2-methylphenyl)phenyl]acetate
CID 139254069
methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate
CID 101211174
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-(2-ethoxyphenyl)acetate?
The IUPAC name of methyl 2-diazo-2-(2-ethoxyphenyl)acetate (CID 101119436) is methyl 2-diazo-2-(2-ethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-diazo-2-(2-ethoxyphenyl)acetate?
The canonical SMILES for methyl 2-diazo-2-(2-ethoxyphenyl)acetate is CCOc1ccccc1C(=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl 2-diazo-2-(2-ethoxyphenyl)acetate?
The InChIKey is XZQILPCITMHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-9-7-5-4-6-8(9)10(13-12)11(14)15-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 2-diazo-2-(2-ethoxyphenyl)acetate?
methyl 2-diazo-2-(2-ethoxyphenyl)acetate has a molecular weight of 220.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-(2-ethoxyphenyl)acetate is sourced from PubChem (CID 101119436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).