3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine

C16H19ClN2O — CID 115492558

IUPAC3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine
SMILESCCCCc1ccc(Oc2nnc(Cl)c(C)c2C)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-5-6-13-7-9-14(10-8-13)20-16-12(3)11(2)15(17)18-19-16/h7-10H,4-6H2,1-3H3
InChIKeyXFYSJRTZSMJSOL-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.88
Rot. Bonds5

About 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine

3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine (PubChem CID 115492558) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine
PubChem CID115492558
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine
SMILESCCCCc1ccc(Oc2nnc(Cl)c(C)c2C)cc1
InChIInChI=1S/C16H19ClN2O/c1-4-5-6-13-7-9-14(10-8-13)20-16-12(3)11(2)15(17)18-19-16/h7-10H,4-6H2,1-3H3
InChIKeyXFYSJRTZSMJSOL-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(4-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271914
3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine
CID 55168912
3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine
CID 107664592
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
3-chloro-6-(3,5-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271701
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine?
The IUPAC name of 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine (CID 115492558) is 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine.
What is the SMILES notation for 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine?
The canonical SMILES for 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine is CCCCc1ccc(Oc2nnc(Cl)c(C)c2C)cc1.
What is the InChIKey of 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine?
The InChIKey is XFYSJRTZSMJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-5-6-13-7-9-14(10-8-13)20-16-12(3)11(2)15(17)18-19-16/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine?
3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine has a molecular weight of 290.79 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine is sourced from PubChem (CID 115492558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).