2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide

C15H23ClN2O2 — CID 83047266

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide
SMILESCCCC(Oc1cc(C)c(Cl)cc1C(C)C)C(=O)NN
InChIInChI=1S/C15H23ClN2O2/c1-5-6-13(15(19)18-17)20-14-7-10(4)12(16)8-11(14)9(2)3/h7-9,13H,5-6,17H2,1-4H3,(H,18,19)
InChIKeySGECLMJEGBCASA-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.31
Rot. Bonds6

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide (PubChem CID 83047266) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide
PubChem CID83047266
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide
SMILESCCCC(Oc1cc(C)c(Cl)cc1C(C)C)C(=O)NN
InChIInChI=1S/C15H23ClN2O2/c1-5-6-13(15(19)18-17)20-14-7-10(4)12(16)8-11(14)9(2)3/h7-9,13H,5-6,17H2,1-4H3,(H,18,19)
InChIKeySGECLMJEGBCASA-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.31
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 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-fluoroacetate
CID 79357323
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
methyl 4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-ethylbut-2-enoate
CID 77100918
2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide
CID 107101957
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182
2-(4-chloro-2,5-dimethylphenoxy)-N-(3-methylbut-1-ynyl)butanamide
CID 70626788
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide (CID 83047266) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide is CCCC(Oc1cc(C)c(Cl)cc1C(C)C)C(=O)NN.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide?
The InChIKey is SGECLMJEGBCASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-5-6-13(15(19)18-17)20-14-7-10(4)12(16)8-11(14)9(2)3/h7-9,13H,5-6,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide has a molecular weight of 298.81 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide is sourced from PubChem (CID 83047266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).