3-(4-propoxyphenoxy)propanehydrazide

C12H18N2O3 — CID 63576064

IUPAC3-(4-propoxyphenoxy)propanehydrazide
SMILESCCCOc1ccc(OCCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O3/c1-2-8-16-10-3-5-11(6-4-10)17-9-7-12(15)14-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyCOWYXWZHJSAVMK-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.23
Rot. Bonds7

About 3-(4-propoxyphenoxy)propanehydrazide

3-(4-propoxyphenoxy)propanehydrazide (PubChem CID 63576064) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4-propoxyphenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(4-propoxyphenoxy)propanehydrazide
PubChem CID63576064
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(4-propoxyphenoxy)propanehydrazide
SMILESCCCOc1ccc(OCCC(=O)NN)cc1
InChIInChI=1S/C12H18N2O3/c1-2-8-16-10-3-5-11(6-4-10)17-9-7-12(15)14-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyCOWYXWZHJSAVMK-UHFFFAOYSA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
4-(3-hydrazinyl-3-oxopropoxy)benzoic acid
CID 23136072
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
propyl 3-phenoxypropanoate
CID 43389568
4-(4-formylphenoxy)butanehydrazide
CID 63568719
5-(4-formylphenoxy)pentanehydrazide
CID 63569079
4-[4-(3-oxobutyl)phenoxy]butanehydrazide
CID 63577003
5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
4-pentoxybenzohydrazide
CID 2727702

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenoxy)propanehydrazide?
The IUPAC name of 3-(4-propoxyphenoxy)propanehydrazide (CID 63576064) is 3-(4-propoxyphenoxy)propanehydrazide.
What is the SMILES notation for 3-(4-propoxyphenoxy)propanehydrazide?
The canonical SMILES for 3-(4-propoxyphenoxy)propanehydrazide is CCCOc1ccc(OCCC(=O)NN)cc1.
What is the InChIKey of 3-(4-propoxyphenoxy)propanehydrazide?
The InChIKey is COWYXWZHJSAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-8-16-10-3-5-11(6-4-10)17-9-7-12(15)14-13/h3-6H,2,7-9,13H2,1H3,(H,14,15).
What are the key properties of 3-(4-propoxyphenoxy)propanehydrazide?
3-(4-propoxyphenoxy)propanehydrazide has a molecular weight of 238.29 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenoxy)propanehydrazide is sourced from PubChem (CID 63576064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).