2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide

C10H13ClN2O2 — CID 692251

IUPAC2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NN)cc(C)c1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6-3-8(4-7(2)10(6)11)15-5-9(14)13-12/h3-4H,5,12H2,1-2H3,(H,13,14)
InChIKeyIESQBZMQMDXTCE-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.33
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide

2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide (PubChem CID 692251) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide
PubChem CID692251
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NN)cc(C)c1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6-3-8(4-7(2)10(6)11)15-5-9(14)13-12/h3-4H,5,12H2,1-2H3,(H,13,14)
InChIKeyIESQBZMQMDXTCE-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Acetic acid, (4-chlorophenoxy)-, hydrazide
CID 774289
2-(3-Methylphenoxy)acetic acid hydrazide
CID 215800
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
2-(4-Chloro-3-methylphenoxy)acetamide
CID 244052
Acetic acid, ((4-chloro-o-tolyl)oxy)-, hydrazide
CID 149463
2-(4-Chlorophenoxy)propanehydrazide
CID 2844805
2-(4-Chloro-3-methylphenoxy)acetic acid hydrazide
CID 692252
Propionic acid, 2-(m-tolyloxy)-, hydrazide
CID 3021693
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylacetamide
CID 808117
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 2268269
Propanoic acid, 2-(4-chloro-3-methylphenoxy)-2-methyl-, hydrazide
CID 3061075
2-(4-Chloro-3-pentadecylphenoxy)propanehydrazonic acid
CID 3066808

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide (CID 692251) is 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide is Cc1cc(OCC(=O)NN)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide?
The InChIKey is IESQBZMQMDXTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-3-8(4-7(2)10(6)11)15-5-9(14)13-12/h3-4H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide?
2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide has a molecular weight of 228.68 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)acetohydrazide is sourced from PubChem (CID 692251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).