5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one

C19H25NO2 — CID 167569314

IUPAC5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2)cc(CO)c1C(C)(C)C
InChIInChI=1S/C19H25NO2/c1-12-7-14(9-16(11-21)17(12)19(3,4)5)15-8-13(2)18(22)20(6)10-15/h7-10,21H,11H2,1-6H3
InChIKeyKQRKGBFMYMYGDM-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.46
Rot. Bonds2

About 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one

5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 167569314) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one
PubChem CID167569314
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2)cc(CO)c1C(C)(C)C
InChIInChI=1S/C19H25NO2/c1-12-7-14(9-16(11-21)17(12)19(3,4)5)15-8-13(2)18(22)20(6)10-15/h7-10,21H,11H2,1-6H3
InChIKeyKQRKGBFMYMYGDM-UHFFFAOYSA-N
XLogP3.46
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
5-[4-(bromomethyl)-2,5-dimethylphenyl]-1,3-dimethylpyridin-2-one
CID 134247860
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
5-amino-1,3-dimethylpyridin-2-one
CID 67456616
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
CID 134247808
5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 134258720
1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
CID 118021347
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658

Frequently Asked Questions

What is the IUPAC name of 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one (CID 167569314) is 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(C)c(=O)n(C)c2)cc(CO)c1C(C)(C)C.
What is the InChIKey of 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is KQRKGBFMYMYGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-7-14(9-16(11-21)17(12)19(3,4)5)15-8-13(2)18(22)20(6)10-15/h7-10,21H,11H2,1-6H3.
What are the key properties of 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one?
5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-tert-butyl-3-(hydroxymethyl)-5-methylphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 167569314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).