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

C11H15ClN2O2 — CID 3061075

IUPAC2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide
SMILESCc1cc(OC(C)(C)C(=O)NN)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-6-8(4-5-9(7)12)16-11(2,3)10(15)14-13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyYQRISDDAQUTNKF-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.80
Rot. Bonds3

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

2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide (PubChem CID 3061075) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide
PubChem CID3061075
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide
SMILESCc1cc(OC(C)(C)C(=O)NN)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-6-8(4-5-9(7)12)16-11(2,3)10(15)14-13/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyYQRISDDAQUTNKF-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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': '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)-2-methylpropanehydrazide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide (CID 3061075) is 2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide is Cc1cc(OC(C)(C)C(=O)NN)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide?
The InChIKey is YQRISDDAQUTNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-6-8(4-5-9(7)12)16-11(2,3)10(15)14-13/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide?
2-(4-chloro-3-methylphenoxy)-2-methylpropanehydrazide has a molecular weight of 242.71 g/mol, XLogP of 1.80, 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)-2-methylpropanehydrazide is sourced from PubChem (CID 3061075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).