1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone

C15H15NO2 — CID 83119321

IUPAC1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C15H15NO2/c1-10-6-11(2)8-14(7-10)18-13-4-5-15(12(3)17)16-9-13/h4-9H,1-3H3
InChIKeyWJICLZUHXIMDBJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.69
Rot. Bonds3

About 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone

1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone (PubChem CID 83119321) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
PubChem CID83119321
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C15H15NO2/c1-10-6-11(2)8-14(7-10)18-13-4-5-15(12(3)17)16-9-13/h4-9H,1-3H3
InChIKeyWJICLZUHXIMDBJ-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
CID 83118631
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
1-[5-(N,3,5-trimethylanilino)-2-pyridinyl]ethanone
CID 83119952
methyl 5-(4-methylphenoxy)pyridine-2-carboxylate
CID 59966219
1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
CID 83118902
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
CID 83118898

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone (CID 83119321) is 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2cc(C)cc(C)c2)cn1.
What is the InChIKey of 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone?
The InChIKey is WJICLZUHXIMDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-11(2)8-14(7-10)18-13-4-5-15(12(3)17)16-9-13/h4-9H,1-3H3.
What are the key properties of 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone?
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone has a molecular weight of 241.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).