3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one

C16H18ClNO2 — CID 16728056

IUPAC3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(Cl)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C16H18ClNO2/c1-5-13-11(4)18-16(19)14(17)15(13)20-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyTXASBXSTKVKYPN-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.31
Rot. Bonds3

About 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one

3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 16728056) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID16728056
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(Cl)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C16H18ClNO2/c1-5-13-11(4)18-16(19)14(17)15(13)20-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyTXASBXSTKVKYPN-UHFFFAOYSA-N
XLogP4.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylphenoxy)-5-(ethoxymethyl)-3-iodo-6-methyl-1H-pyridin-2-one
CID 10024708
(2E)-3-(3-((5-Ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-YL)oxy)phenyl)acrylonitrile
CID 5459348
3-[3-[(3-ethyl-5-iodo-2-methyl-6-oxo-1H-pyridin-4-yl)oxy]phenyl]propanenitrile
CID 5327059
4-(3,5-dimethylphenoxy)-5-ethyl-3-iodo-6-methyl-1H-pyridin-2-one
CID 3011697
4-(3,5-dimethylphenoxy)-5-(hydroxymethyl)-3-iodo-6-methyl-1H-pyridin-2-one
CID 10000127
4-(3,5-dimethylphenoxy)-3,5-diethyl-6-methyl-1H-pyridin-2-one
CID 10401696
4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-vinyl-1H-pyridin-2-one
CID 10469054
3-(dimethylamino)-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 487017
4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 3011693
4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-3-nitro-1H-pyridin-2-one
CID 3011694
5-ethyl-3-iodo-6-methyl-4-(3-methylphenoxy)-1H-pyridin-2-one
CID 3011696
3-cyclopropyl-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 9971862

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one (CID 16728056) is 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(Cl)c1Oc1cc(C)cc(C)c1.
What is the InChIKey of 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is TXASBXSTKVKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-5-13-11(4)18-16(19)14(17)15(13)20-12-7-9(2)6-10(3)8-12/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one?
3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 291.78 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 16728056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).