1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one

C14H15NO2 — CID 79884501

IUPAC1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1cccc(CO)c1
InChIInChI=1S/C14H15NO2/c1-10-6-14(17)7-11(2)15(10)13-5-3-4-12(8-13)9-16/h3-8,16H,9H2,1-2H3
InChIKeyJBOZDXGCIANHHU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.95
Rot. Bonds2

About 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one

1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one (PubChem CID 79884501) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
PubChem CID79884501
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1cccc(CO)c1
InChIInChI=1S/C14H15NO2/c1-10-6-14(17)7-11(2)15(10)13-5-3-4-12(8-13)9-16/h3-8,16H,9H2,1-2H3
InChIKeyJBOZDXGCIANHHU-UHFFFAOYSA-N
XLogP1.95
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 54724201
1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884679
2,6-dimethyl-1-(3-propan-2-ylphenyl)pyridin-4-one
CID 84818804
1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one
CID 737573
2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
CID 79023796
1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
CID 61207713
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 22051017
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile
CID 79884933
4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione
CID 61328558
2,5-dimethyl-1-[3-(methylsulfanylmethyl)phenyl]pyrrole
CID 143407080
4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid
CID 107796660

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one (CID 79884501) is 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1-c1cccc(CO)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one?
The InChIKey is JBOZDXGCIANHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-6-14(17)7-11(2)15(10)13-5-3-4-12(8-13)9-16/h3-8,16H,9H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one?
1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).