5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one

C14H15NO2 — CID 13416484

IUPAC5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(C)c(=O)[nH]c2C)cc1
InChIInChI=1S/C14H15NO2/c1-9-8-13(10(2)15-14(9)16)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3,(H,15,16)
InChIKeyHOQCJRGRSFMCBA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.67
Rot. Bonds2

About 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one

5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one (PubChem CID 13416484) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one
PubChem CID13416484
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(C)c(=O)[nH]c2C)cc1
InChIInChI=1S/C14H15NO2/c1-9-8-13(10(2)15-14(9)16)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3,(H,15,16)
InChIKeyHOQCJRGRSFMCBA-UHFFFAOYSA-N
XLogP2.67
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118723628
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CID 584258
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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one (CID 13416484) is 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one is COc1ccc(-c2cc(C)c(=O)[nH]c2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one?
The InChIKey is HOQCJRGRSFMCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-8-13(10(2)15-14(9)16)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3,(H,15,16).
What are the key properties of 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one?
5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 13416484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).