1-(4-ethoxyphenyl)but-3-ynylhydrazine

C12H16N2O — CID 105281456

IUPAC1-(4-ethoxyphenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1ccc(OCC)cc1
InChIInChI=1S/C12H16N2O/c1-3-5-12(14-13)10-6-8-11(9-7-10)15-4-2/h1,6-9,12,14H,4-5,13H2,2H3
InChIKeyJIPZWVJVHIMSTB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.61
Rot. Bonds5

About 1-(4-ethoxyphenyl)but-3-ynylhydrazine

1-(4-ethoxyphenyl)but-3-ynylhydrazine (PubChem CID 105281456) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)but-3-ynylhydrazine
PubChem CID105281456
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-ethoxyphenyl)but-3-ynylhydrazine
SMILESC#CCC(NN)c1ccc(OCC)cc1
InChIInChI=1S/C12H16N2O/c1-3-5-12(14-13)10-6-8-11(9-7-10)15-4-2/h1,6-9,12,14H,4-5,13H2,2H3
InChIKeyJIPZWVJVHIMSTB-UHFFFAOYSA-N
XLogP1.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)pent-3-ynylhydrazine
CID 105290586
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine
CID 122134000
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
[3-cyclohexyl-1-(4-ethoxyphenyl)propyl]hydrazine
CID 105300716
1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
CID 130239212
[2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105327049
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
[2-(3-bromophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105202710
[2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105200111
[2-(2,5-dichlorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105309809
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)but-3-ynylhydrazine?
The IUPAC name of 1-(4-ethoxyphenyl)but-3-ynylhydrazine (CID 105281456) is 1-(4-ethoxyphenyl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)but-3-ynylhydrazine?
The canonical SMILES for 1-(4-ethoxyphenyl)but-3-ynylhydrazine is C#CCC(NN)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)but-3-ynylhydrazine?
The InChIKey is JIPZWVJVHIMSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-5-12(14-13)10-6-8-11(9-7-10)15-4-2/h1,6-9,12,14H,4-5,13H2,2H3.
What are the key properties of 1-(4-ethoxyphenyl)but-3-ynylhydrazine?
1-(4-ethoxyphenyl)but-3-ynylhydrazine has a molecular weight of 204.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)but-3-ynylhydrazine is sourced from PubChem (CID 105281456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).