1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one

C17H21NO2 — CID 82421096

IUPAC1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
SMILESCCc1ccc(-n2cc(C(C)(C)O)c(=O)cc2C)cc1
InChIInChI=1S/C17H21NO2/c1-5-13-6-8-14(9-7-13)18-11-15(17(3,4)20)16(19)10-12(18)2/h6-11,20H,5H2,1-4H3
InChIKeyDBOWOZPWJLAKKP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one

1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one (PubChem CID 82421096) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
PubChem CID82421096
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
SMILESCCc1ccc(-n2cc(C(C)(C)O)c(=O)cc2C)cc1
InChIInChI=1S/C17H21NO2/c1-5-13-6-8-14(9-7-13)18-11-15(17(3,4)20)16(19)10-12(18)2/h6-11,20H,5H2,1-4H3
InChIKeyDBOWOZPWJLAKKP-UHFFFAOYSA-N
XLogP2.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82419865
1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421084
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one
CID 82420473
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264
1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420007
(E)-3-[1-(4-ethylphenyl)-6-methyl-4-oxopyridazin-3-yl]prop-2-enoic acid
CID 82421129
5-(ethylaminomethyl)-2-methyl-1-phenylpyridin-4-one
CID 82419741
1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
CID 82420042

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The IUPAC name of 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one (CID 82421096) is 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one is CCc1ccc(-n2cc(C(C)(C)O)c(=O)cc2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The InChIKey is DBOWOZPWJLAKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-5-13-6-8-14(9-7-13)18-11-15(17(3,4)20)16(19)10-12(18)2/h6-11,20H,5H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one is sourced from PubChem (CID 82421096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).