2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one

C15H17NO3 — CID 169250098

IUPAC2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
SMILESCOc1cc(C)cc(-c2cc(=O)cc(C)[nH]2)c1OC
InChIInChI=1S/C15H17NO3/c1-9-5-12(15(19-4)14(6-9)18-3)13-8-11(17)7-10(2)16-13/h5-8H,1-4H3,(H,16,17)
InChIKeyAWYIYLGDZVFNKD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.68
Rot. Bonds3

About 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one

2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one (PubChem CID 169250098) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
PubChem CID169250098
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
SMILESCOc1cc(C)cc(-c2cc(=O)cc(C)[nH]2)c1OC
InChIInChI=1S/C15H17NO3/c1-9-5-12(15(19-4)14(6-9)18-3)13-8-11(17)7-10(2)16-13/h5-8H,1-4H3,(H,16,17)
InChIKeyAWYIYLGDZVFNKD-UHFFFAOYSA-N
XLogP2.68
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-3-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250104
2-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-1H-pyridin-4-one
CID 169249883
1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
CID 130424971
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 82086470
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
2,3-dimethoxy-5-methylaniline
CID 14263216
2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-pyridin-4-one
CID 169250129
(2,6-dimethoxy-4-methylphenyl) hypoiodite
CID 163998630
5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828138
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
2-(2,3-dimethoxy-5-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154899672

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one (CID 169250098) is 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one is COc1cc(C)cc(-c2cc(=O)cc(C)[nH]2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one?
The InChIKey is AWYIYLGDZVFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-5-12(15(19-4)14(6-9)18-3)13-8-11(17)7-10(2)16-13/h5-8H,1-4H3,(H,16,17).
What are the key properties of 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one?
2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one has a molecular weight of 259.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 169250098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).