3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine

C16H18ClNO — CID 55200335

IUPAC3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
SMILESCc1cc(C)c(CCl)c(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H18ClNO/c1-10-5-6-14(8-11(10)2)19-16-15(9-17)12(3)7-13(4)18-16/h5-8H,9H2,1-4H3
InChIKeySSENLJCGUMIPLE-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.85
Rot. Bonds3

About 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine

3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine (PubChem CID 55200335) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
PubChem CID55200335
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
SMILESCc1cc(C)c(CCl)c(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H18ClNO/c1-10-5-6-14(8-11(10)2)19-16-15(9-17)12(3)7-13(4)18-16/h5-8H,9H2,1-4H3
InChIKeySSENLJCGUMIPLE-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine (CID 55200335) is 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine is Cc1cc(C)c(CCl)c(Oc2ccc(C)c(C)c2)n1.
What is the InChIKey of 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine?
The InChIKey is SSENLJCGUMIPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-5-6-14(8-11(10)2)19-16-15(9-17)12(3)7-13(4)18-16/h5-8H,9H2,1-4H3.
What are the key properties of 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine?
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine has a molecular weight of 275.78 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine is sourced from PubChem (CID 55200335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).