2-(2-bromo-4-methoxyphenoxy)acetohydrazide

C9H11BrN2O3 — CID 3936634

IUPAC2-(2-bromo-4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C9H11BrN2O3/c1-14-6-2-3-8(7(10)4-6)15-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyUXOYIJQALMHTQW-UHFFFAOYSA-N
MW275.10 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-bromo-4-methoxyphenoxy)acetohydrazide

2-(2-bromo-4-methoxyphenoxy)acetohydrazide (PubChem CID 3936634) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)acetohydrazide
PubChem CID3936634
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name2-(2-bromo-4-methoxyphenoxy)acetohydrazide
SMILESCOc1ccc(OCC(=O)NN)c(Br)c1
InChIInChI=1S/C9H11BrN2O3/c1-14-6-2-3-8(7(10)4-6)15-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyUXOYIJQALMHTQW-UHFFFAOYSA-N
XLogP0.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 54793221
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
CID 104706751
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 1181190
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)acetohydrazide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)acetohydrazide (CID 3936634) is 2-(2-bromo-4-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)acetohydrazide is COc1ccc(OCC(=O)NN)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)acetohydrazide?
The InChIKey is UXOYIJQALMHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-14-6-2-3-8(7(10)4-6)15-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)acetohydrazide?
2-(2-bromo-4-methoxyphenoxy)acetohydrazide has a molecular weight of 275.10 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 3936634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).