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

C10H13ClN2O2 — CID 63574293

IUPAC3-(4-chloro-2-methylphenoxy)propanehydrazide
SMILESCc1cc(Cl)ccc1OCCC(=O)NN
InChIInChI=1S/C10H13ClN2O2/c1-7-6-8(11)2-3-9(7)15-5-4-10(14)13-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyMPHAKZXITHALLX-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.41
Rot. Bonds4

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

3-(4-chloro-2-methylphenoxy)propanehydrazide (PubChem CID 63574293) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)propanehydrazide
PubChem CID63574293
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-(4-chloro-2-methylphenoxy)propanehydrazide
SMILESCc1cc(Cl)ccc1OCCC(=O)NN
InChIInChI=1S/C10H13ClN2O2/c1-7-6-8(11)2-3-9(7)15-5-4-10(14)13-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyMPHAKZXITHALLX-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.41
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

ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
1-(4-chloro-2-methylphenoxy)-4-methylpentan-3-one
CID 92931875
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
2-(dimethylamino)ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 169177778
3-(5-chloro-2-cyanophenoxy)propanehydrazide
CID 114324002
[2-(tert-butylamino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 2517583
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 9019075
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
undecyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 91699079

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)propanehydrazide?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)propanehydrazide (CID 63574293) is 3-(4-chloro-2-methylphenoxy)propanehydrazide.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)propanehydrazide?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)propanehydrazide is Cc1cc(Cl)ccc1OCCC(=O)NN.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)propanehydrazide?
The InChIKey is MPHAKZXITHALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-6-8(11)2-3-9(7)15-5-4-10(14)13-12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 3-(4-chloro-2-methylphenoxy)propanehydrazide?
3-(4-chloro-2-methylphenoxy)propanehydrazide has a molecular weight of 228.68 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenoxy)propanehydrazide is sourced from PubChem (CID 63574293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).