1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one

C15H17NO4 — CID 82422070

IUPAC1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
SMILESCOc1ccc(-n2cc(CO)c(=O)cc2C)c(OC)c1
InChIInChI=1S/C15H17NO4/c1-10-6-14(18)11(9-17)8-16(10)13-5-4-12(19-2)7-15(13)20-3/h4-8,17H,9H2,1-3H3
InChIKeyJEMMNANIPIPBOB-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.66
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one

1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one (PubChem CID 82422070) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
PubChem CID82422070
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
SMILESCOc1ccc(-n2cc(CO)c(=O)cc2C)c(OC)c1
InChIInChI=1S/C15H17NO4/c1-10-6-14(18)11(9-17)8-16(10)13-5-4-12(19-2)7-15(13)20-3/h4-8,17H,9H2,1-3H3
InChIKeyJEMMNANIPIPBOB-UHFFFAOYSA-N
XLogP1.66
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82422073
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
1-(2,5-dimethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420708
1-(2,5-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbaldehyde
CID 82420706
5-(hydroxymethyl)-2-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-4-one
CID 82420554
1-(2,6-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420790
1-(2,4-dimethoxyphenyl)-3-methylindole
CID 151820555
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613
[4-methoxy-2-(4-methylphenoxy)phenyl]methanol
CID 54366754
3-(2,4-dimethoxyphenyl)-1H-imidazol-2-one
CID 103125116
1-(3-chloro-4-fluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420457
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one (CID 82422070) is 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one is COc1ccc(-n2cc(CO)c(=O)cc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
The InChIKey is JEMMNANIPIPBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-6-14(18)11(9-17)8-16(10)13-5-4-12(19-2)7-15(13)20-3/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one?
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one has a molecular weight of 275.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82422070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).