1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone

C15H14ClNO2 — CID 83119327

IUPAC1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
SMILESCCc1cc(Oc2ccc(C(C)=O)nc2)ccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-3-11-8-12(4-6-14(11)16)19-13-5-7-15(10(2)18)17-9-13/h4-9H,3H2,1-2H3
InChIKeyOKOGDSIDTWOYPY-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.29
Rot. Bonds4

About 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone

1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone (PubChem CID 83119327) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
PubChem CID83119327
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
SMILESCCc1cc(Oc2ccc(C(C)=O)nc2)ccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-3-11-8-12(4-6-14(11)16)19-13-5-7-15(10(2)18)17-9-13/h4-9H,3H2,1-2H3
InChIKeyOKOGDSIDTWOYPY-UHFFFAOYSA-N
XLogP4.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
CID 83123923
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone (CID 83119327) is 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone is CCc1cc(Oc2ccc(C(C)=O)nc2)ccc1Cl.
What is the InChIKey of 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone?
The InChIKey is OKOGDSIDTWOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-3-11-8-12(4-6-14(11)16)19-13-5-7-15(10(2)18)17-9-13/h4-9H,3H2,1-2H3.
What are the key properties of 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone?
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone has a molecular weight of 275.74 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).