2-(4-chloro-3-methylphenoxy)acetohydrazide

C9H11ClN2O2 — CID 692252

IUPAC2-(4-chloro-3-methylphenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NN)ccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-4-7(2-3-8(6)10)14-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyDLFJAQDMJDJPKW-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.02
Rot. Bonds3

About 2-(4-chloro-3-methylphenoxy)acetohydrazide

2-(4-chloro-3-methylphenoxy)acetohydrazide (PubChem CID 692252) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)acetohydrazide
PubChem CID692252
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-(4-chloro-3-methylphenoxy)acetohydrazide
SMILESCc1cc(OCC(=O)NN)ccc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-4-7(2-3-8(6)10)14-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyDLFJAQDMJDJPKW-UHFFFAOYSA-N
XLogP1.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)acetohydrazide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)acetohydrazide (CID 692252) is 2-(4-chloro-3-methylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)acetohydrazide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)acetohydrazide is Cc1cc(OCC(=O)NN)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)acetohydrazide?
The InChIKey is DLFJAQDMJDJPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6-4-7(2-3-8(6)10)14-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-chloro-3-methylphenoxy)acetohydrazide?
2-(4-chloro-3-methylphenoxy)acetohydrazide has a molecular weight of 214.65 g/mol, XLogP of 1.02, 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-methylphenoxy)acetohydrazide is sourced from PubChem (CID 692252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).