4-(4-chloro-2-methylphenoxy)butanehydrazide

C11H15ClN2O2 — CID 3672669

IUPAC4-(4-chloro-2-methylphenoxy)butanehydrazide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN
InChIInChI=1S/C11H15ClN2O2/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(15)14-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeySOMMQLJPDBEQBY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.80
Rot. Bonds5

About 4-(4-chloro-2-methylphenoxy)butanehydrazide

4-(4-chloro-2-methylphenoxy)butanehydrazide (PubChem CID 3672669) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)butanehydrazide
PubChem CID3672669
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-(4-chloro-2-methylphenoxy)butanehydrazide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN
InChIInChI=1S/C11H15ClN2O2/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(15)14-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15)
InChIKeySOMMQLJPDBEQBY-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 4-(4-chloro-2-methylphenoxy)butanehydrazide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)butanehydrazide (CID 3672669) is 4-(4-chloro-2-methylphenoxy)butanehydrazide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)butanehydrazide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)butanehydrazide is Cc1cc(Cl)ccc1OCCCC(=O)NN.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)butanehydrazide?
The InChIKey is SOMMQLJPDBEQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(15)14-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 4-(4-chloro-2-methylphenoxy)butanehydrazide?
4-(4-chloro-2-methylphenoxy)butanehydrazide has a molecular weight of 242.71 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)butanehydrazide is sourced from PubChem (CID 3672669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).