5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one

C14H15NO3 — CID 82420995

IUPAC5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
SMILESCOc1cccc(-n2cc(CO)c(=O)cc2C)c1
InChIInChI=1S/C14H15NO3/c1-10-6-14(17)11(9-16)8-15(10)12-4-3-5-13(7-12)18-2/h3-8,16H,9H2,1-2H3
InChIKeyTUQHUTLUFWITFZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.65
Rot. Bonds3

About 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one

5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one (PubChem CID 82420995) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
PubChem CID82420995
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
SMILESCOc1cccc(-n2cc(CO)c(=O)cc2C)c1
InChIInChI=1S/C14H15NO3/c1-10-6-14(17)11(9-16)8-15(10)12-4-3-5-13(7-12)18-2/h3-8,16H,9H2,1-2H3
InChIKeyTUQHUTLUFWITFZ-UHFFFAOYSA-N
XLogP1.65
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 130407768
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82421024
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420996
1-(2,6-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420790
2-(6-methyl-4-oxo-1-phenyl-3-pyridinyl)acetic acid
CID 82419755
1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
[1-(3-methoxyphenyl)imidazol-2-yl]methanol
CID 119091305
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
CID 82421340
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one (CID 82420995) is 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one is COc1cccc(-n2cc(CO)c(=O)cc2C)c1.
What is the InChIKey of 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
The InChIKey is TUQHUTLUFWITFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-6-14(17)11(9-16)8-15(10)12-4-3-5-13(7-12)18-2/h3-8,16H,9H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one?
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).