5-(2-chloro-4-formylphenoxy)pentanehydrazide

C12H15ClN2O3 — CID 55214580

IUPAC5-(2-chloro-4-formylphenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1ccc(C=O)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c13-10-7-9(8-16)4-5-11(10)18-6-2-1-3-12(17)15-14/h4-5,7-8H,1-3,6,14H2,(H,15,17)
InChIKeyKVGOYVKJVBTRQC-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.69
Rot. Bonds7

About 5-(2-chloro-4-formylphenoxy)pentanehydrazide

5-(2-chloro-4-formylphenoxy)pentanehydrazide (PubChem CID 55214580) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-(2-chloro-4-formylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(2-chloro-4-formylphenoxy)pentanehydrazide
PubChem CID55214580
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-(2-chloro-4-formylphenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1ccc(C=O)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c13-10-7-9(8-16)4-5-11(10)18-6-2-1-3-12(17)15-14/h4-5,7-8H,1-3,6,14H2,(H,15,17)
InChIKeyKVGOYVKJVBTRQC-UHFFFAOYSA-N
XLogP1.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-formylphenoxy)-N-methylbutanamide
CID 63890999
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
tert-butyl 6-(2-chloro-4-formylphenoxy)hexanoate
CID 134562434
5-(4-formylphenoxy)pentanehydrazide
CID 63569079
5-(2-chloro-5-methylphenoxy)pentanehydrazide
CID 63576775
4-(10-bromodecoxy)-3-chlorobenzaldehyde
CID 134562516
3-chloro-4-(4-oxo-4-phenylbutoxy)benzaldehyde
CID 62032561
4-(2-bromoethoxy)-3-chlorobenzaldehyde
CID 71756025
4-(4-formylphenoxy)butanehydrazide
CID 63568719
3-chloro-4-[3-(2-hydroxypropan-2-yloxy)propoxy]benzaldehyde
CID 169132785
8-(5-formyl-2,3-dioctoxyphenoxy)octanehydrazide
CID 173199656
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-formylphenoxy)pentanehydrazide?
The IUPAC name of 5-(2-chloro-4-formylphenoxy)pentanehydrazide (CID 55214580) is 5-(2-chloro-4-formylphenoxy)pentanehydrazide.
What is the SMILES notation for 5-(2-chloro-4-formylphenoxy)pentanehydrazide?
The canonical SMILES for 5-(2-chloro-4-formylphenoxy)pentanehydrazide is NNC(=O)CCCCOc1ccc(C=O)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-formylphenoxy)pentanehydrazide?
The InChIKey is KVGOYVKJVBTRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-10-7-9(8-16)4-5-11(10)18-6-2-1-3-12(17)15-14/h4-5,7-8H,1-3,6,14H2,(H,15,17).
What are the key properties of 5-(2-chloro-4-formylphenoxy)pentanehydrazide?
5-(2-chloro-4-formylphenoxy)pentanehydrazide has a molecular weight of 270.72 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-formylphenoxy)pentanehydrazide is sourced from PubChem (CID 55214580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).