2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one

C14H15NO2 — CID 169250104

IUPAC2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one
SMILESCOc1c(C)cccc1-c1cc(=O)cc(C)[nH]1
InChIInChI=1S/C14H15NO2/c1-9-5-4-6-12(14(9)17-3)13-8-11(16)7-10(2)15-13/h4-8H,1-3H3,(H,15,16)
InChIKeyIPDOTSKAQUGBCD-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.67
Rot. Bonds2

About 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one

2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one (PubChem CID 169250104) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one
PubChem CID169250104
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one
SMILESCOc1c(C)cccc1-c1cc(=O)cc(C)[nH]1
InChIInChI=1S/C14H15NO2/c1-9-5-4-6-12(14(9)17-3)13-8-11(16)7-10(2)15-13/h4-8H,1-3H3,(H,15,16)
InChIKeyIPDOTSKAQUGBCD-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one (CID 169250104) is 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one is COc1c(C)cccc1-c1cc(=O)cc(C)[nH]1.
What is the InChIKey of 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one?
The InChIKey is IPDOTSKAQUGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-5-4-6-12(14(9)17-3)13-8-11(16)7-10(2)15-13/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one?
2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-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 2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 169250104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).