3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine

C15H15Cl2NO2 — CID 57393480

IUPAC3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C15H15Cl2NO2/c1-10-3-5-14(11(2)18-10)19-7-8-20-15-6-4-12(16)9-13(15)17/h3-6,9H,7-8H2,1-2H3
InChIKeyIBCVUINWJJTLPH-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.46
Rot. Bonds5

About 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine

3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine (PubChem CID 57393480) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
PubChem CID57393480
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C15H15Cl2NO2/c1-10-3-5-14(11(2)18-10)19-7-8-20-15-6-4-12(16)9-13(15)17/h3-6,9H,7-8H2,1-2H3
InChIKeyIBCVUINWJJTLPH-UHFFFAOYSA-N
XLogP4.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
N-[2-(2,4-dichlorophenoxy)ethyl]prop-2-yn-1-amine
CID 60695100
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
1-[2-(2,4-dichlorophenoxy)ethoxy]-4-methyl-2-nitrobenzene
CID 57398735
bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
CID 67683107

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine (CID 57393480) is 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine is Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(C)n1.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine?
The InChIKey is IBCVUINWJJTLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-10-3-5-14(11(2)18-10)19-7-8-20-15-6-4-12(16)9-13(15)17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine?
3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine has a molecular weight of 312.20 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine is sourced from PubChem (CID 57393480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).