5-(2-chloro-5-methylphenoxy)pentanehydrazide

C12H17ClN2O2 — CID 63576775

IUPAC5-(2-chloro-5-methylphenoxy)pentanehydrazide
SMILESCc1ccc(Cl)c(OCCCCC(=O)NN)c1
InChIInChI=1S/C12H17ClN2O2/c1-9-5-6-10(13)11(8-9)17-7-3-2-4-12(16)15-14/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyGXKLZMWCOWUVJM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.19
Rot. Bonds6

About 5-(2-chloro-5-methylphenoxy)pentanehydrazide

5-(2-chloro-5-methylphenoxy)pentanehydrazide (PubChem CID 63576775) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-(2-chloro-5-methylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(2-chloro-5-methylphenoxy)pentanehydrazide
PubChem CID63576775
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-(2-chloro-5-methylphenoxy)pentanehydrazide
SMILESCc1ccc(Cl)c(OCCCCC(=O)NN)c1
InChIInChI=1S/C12H17ClN2O2/c1-9-5-6-10(13)11(8-9)17-7-3-2-4-12(16)15-14/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyGXKLZMWCOWUVJM-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.19
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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Related Compounds

4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
7-(2-chloro-5-methylphenoxy)heptanoic acid
CID 39369862
5-(2-chloro-4-formylphenoxy)pentanehydrazide
CID 55214580
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
1-(2-chloro-5-methylphenoxy)-4-methylpentan-3-one
CID 92931877
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184
6-O-(2-chloro-5-methylphenyl) 1-O-ethyl hexanedioate
CID 91704853
bis(2-chloro-5-methylphenyl) hexanedioate
CID 91704940
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
6-O-(2-chloro-5-methylphenyl) 1-O-octyl hexanedioate
CID 91713504
10-O-(2-chloro-5-methylphenyl) 1-O-hexyl decanedioate
CID 91729364

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylphenoxy)pentanehydrazide?
The IUPAC name of 5-(2-chloro-5-methylphenoxy)pentanehydrazide (CID 63576775) is 5-(2-chloro-5-methylphenoxy)pentanehydrazide.
What is the SMILES notation for 5-(2-chloro-5-methylphenoxy)pentanehydrazide?
The canonical SMILES for 5-(2-chloro-5-methylphenoxy)pentanehydrazide is Cc1ccc(Cl)c(OCCCCC(=O)NN)c1.
What is the InChIKey of 5-(2-chloro-5-methylphenoxy)pentanehydrazide?
The InChIKey is GXKLZMWCOWUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9-5-6-10(13)11(8-9)17-7-3-2-4-12(16)15-14/h5-6,8H,2-4,7,14H2,1H3,(H,15,16).
What are the key properties of 5-(2-chloro-5-methylphenoxy)pentanehydrazide?
5-(2-chloro-5-methylphenoxy)pentanehydrazide has a molecular weight of 256.73 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylphenoxy)pentanehydrazide is sourced from PubChem (CID 63576775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).