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

C17H21NO2 — CID 82419865

IUPAC1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
SMILESCCc1ccccc1-n1cc(C(C)(C)O)c(=O)cc1C
InChIInChI=1S/C17H21NO2/c1-5-13-8-6-7-9-15(13)18-11-14(17(3,4)20)16(19)10-12(18)2/h6-11,20H,5H2,1-4H3
InChIKeyFJOBZFPWFVXZCH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds3

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

1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one (PubChem CID 82419865) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
PubChem CID82419865
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
SMILESCCc1ccccc1-n1cc(C(C)(C)O)c(=O)cc1C
InChIInChI=1S/C17H21NO2/c1-5-13-8-6-7-9-15(13)18-11-14(17(3,4)20)16(19)10-12(18)2/h6-11,20H,5H2,1-4H3
InChIKeyFJOBZFPWFVXZCH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The IUPAC name of 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one (CID 82419865) is 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one is CCc1ccccc1-n1cc(C(C)(C)O)c(=O)cc1C.
What is the InChIKey of 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
The InChIKey is FJOBZFPWFVXZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-5-13-8-6-7-9-15(13)18-11-14(17(3,4)20)16(19)10-12(18)2/h6-11,20H,5H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one?
1-(2-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-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one is sourced from PubChem (CID 82419865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).