4-(4-formylphenoxy)butanehydrazide

C11H14N2O3 — CID 63568719

IUPAC4-(4-formylphenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(C=O)cc1
InChIInChI=1S/C11H14N2O3/c12-13-11(15)2-1-7-16-10-5-3-9(8-14)4-6-10/h3-6,8H,1-2,7,12H2,(H,13,15)
InChIKeyAQSACNIKQJGOSR-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.65
Rot. Bonds6

About 4-(4-formylphenoxy)butanehydrazide

4-(4-formylphenoxy)butanehydrazide (PubChem CID 63568719) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(4-formylphenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(4-formylphenoxy)butanehydrazide
PubChem CID63568719
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(4-formylphenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(C=O)cc1
InChIInChI=1S/C11H14N2O3/c12-13-11(15)2-1-7-16-10-5-3-9(8-14)4-6-10/h3-6,8H,1-2,7,12H2,(H,13,15)
InChIKeyAQSACNIKQJGOSR-UHFFFAOYSA-N
XLogP0.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.65
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

5-(4-formylphenoxy)pentanehydrazide
CID 63569079
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
N-(2-aminoethyl)-4-(4-formylphenoxy)butanamide
CID 39163097
methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
CID 71148683
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
(4-hydroxyphenyl)methyl 4-(4-formylphenoxy)butanoate
CID 142024607
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[4-(cyanomethyl)phenoxy]butanehydrazide
CID 55213790
4-[4-(3-oxobutyl)phenoxy]butanehydrazide
CID 63577003
7-(4-formylphenoxy)heptanoic acid
CID 169448959
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylphenoxy)butanehydrazide?
The IUPAC name of 4-(4-formylphenoxy)butanehydrazide (CID 63568719) is 4-(4-formylphenoxy)butanehydrazide.
What is the SMILES notation for 4-(4-formylphenoxy)butanehydrazide?
The canonical SMILES for 4-(4-formylphenoxy)butanehydrazide is NNC(=O)CCCOc1ccc(C=O)cc1.
What is the InChIKey of 4-(4-formylphenoxy)butanehydrazide?
The InChIKey is AQSACNIKQJGOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-13-11(15)2-1-7-16-10-5-3-9(8-14)4-6-10/h3-6,8H,1-2,7,12H2,(H,13,15).
What are the key properties of 4-(4-formylphenoxy)butanehydrazide?
4-(4-formylphenoxy)butanehydrazide has a molecular weight of 222.24 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylphenoxy)butanehydrazide is sourced from PubChem (CID 63568719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).