1-phenoxyhex-5-yn-3-ylhydrazine

C12H16N2O — CID 105191454

IUPAC1-phenoxyhex-5-yn-3-ylhydrazine
SMILESC#CCC(CCOc1ccccc1)NN
InChIInChI=1S/C12H16N2O/c1-2-6-11(14-13)9-10-15-12-7-4-3-5-8-12/h1,3-5,7-8,11,14H,6,9-10,13H2
InChIKeySFPYQCGRBLWCBE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds6

About 1-phenoxyhex-5-yn-3-ylhydrazine

1-phenoxyhex-5-yn-3-ylhydrazine (PubChem CID 105191454) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-phenoxyhex-5-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-phenoxyhex-5-yn-3-ylhydrazine
PubChem CID105191454
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-phenoxyhex-5-yn-3-ylhydrazine
SMILESC#CCC(CCOc1ccccc1)NN
InChIInChI=1S/C12H16N2O/c1-2-6-11(14-13)9-10-15-12-7-4-3-5-8-12/h1,3-5,7-8,11,14H,6,9-10,13H2
InChIKeySFPYQCGRBLWCBE-UHFFFAOYSA-N
XLogP1.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.31
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-(3-methylphenoxy)hex-5-yn-3-ylhydrazine
CID 105281608
1-phenoxyhept-5-yn-3-ylhydrazine
CID 105191389
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
CID 105191501
1-phenoxyhept-6-yn-3-ol
CID 63657279
1-phenoxy-N-propylpent-4-yn-2-amine
CID 62717059
(4-methyl-1-phenoxyhexan-3-yl)hydrazine
CID 105191489
[1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-yl]hydrazine
CID 105191374
[4-(3-methylphenoxy)-1-phenylbutan-2-yl]hydrazine
CID 105283208
1-phenylmethoxyhept-6-yn-3-ylhydrazine
CID 130923307
(3-phenoxy-1-thiophen-2-ylpropyl)hydrazine
CID 105191394
(5-methyl-1-phenoxyhexan-2-yl)hydrazine
CID 105212879
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426

Frequently Asked Questions

What is the IUPAC name of 1-phenoxyhex-5-yn-3-ylhydrazine?
The IUPAC name of 1-phenoxyhex-5-yn-3-ylhydrazine (CID 105191454) is 1-phenoxyhex-5-yn-3-ylhydrazine.
What is the SMILES notation for 1-phenoxyhex-5-yn-3-ylhydrazine?
The canonical SMILES for 1-phenoxyhex-5-yn-3-ylhydrazine is C#CCC(CCOc1ccccc1)NN.
What is the InChIKey of 1-phenoxyhex-5-yn-3-ylhydrazine?
The InChIKey is SFPYQCGRBLWCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-6-11(14-13)9-10-15-12-7-4-3-5-8-12/h1,3-5,7-8,11,14H,6,9-10,13H2.
What are the key properties of 1-phenoxyhex-5-yn-3-ylhydrazine?
1-phenoxyhex-5-yn-3-ylhydrazine has a molecular weight of 204.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyhex-5-yn-3-ylhydrazine is sourced from PubChem (CID 105191454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).