1-(2-ethylhexyl)-3-hydroxypyridin-2-one

C13H21NO2 — CID 151678015

IUPAC1-(2-ethylhexyl)-3-hydroxypyridin-2-one
SMILESCCCCC(CC)Cn1cccc(O)c1=O
InChIInChI=1S/C13H21NO2/c1-3-5-7-11(4-2)10-14-9-6-8-12(15)13(14)16/h6,8-9,11,15H,3-5,7,10H2,1-2H3
InChIKeyQZXZCJPQBTUDQR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-ethylhexyl)-3-hydroxypyridin-2-one

1-(2-ethylhexyl)-3-hydroxypyridin-2-one (PubChem CID 151678015) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-hydroxypyridin-2-one
PubChem CID151678015
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2-ethylhexyl)-3-hydroxypyridin-2-one
SMILESCCCCC(CC)Cn1cccc(O)c1=O
InChIInChI=1S/C13H21NO2/c1-3-5-7-11(4-2)10-14-9-6-8-12(15)13(14)16/h6,8-9,11,15H,3-5,7,10H2,1-2H3
InChIKeyQZXZCJPQBTUDQR-UHFFFAOYSA-N
XLogP2.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017959
[1-(2-ethylhexyl)pyrrol-2-yl]methanol
CID 66397815
1-[2-(bromomethyl)butyl]-3-methylpyridin-2-one
CID 64995196
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
1-(2-ethylhexyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 67693947
3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
CID 63812378
4-(2-ethylhexyl)benzene-1,2,3-triol
CID 58275156
2-[1-(2-ethylhexyl)imidazol-2-yl]sulfanylacetic acid
CID 114004311
(2S)-3-acetyl-1-[(2R)-2-ethylhexyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
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(2R)-3-acetyl-1-[(2S)-2-ethylhexyl]-4-hydroxy-2-phenyl-2H-pyrrol-5-one
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CID 157287985

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-hydroxypyridin-2-one?
The IUPAC name of 1-(2-ethylhexyl)-3-hydroxypyridin-2-one (CID 151678015) is 1-(2-ethylhexyl)-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-(2-ethylhexyl)-3-hydroxypyridin-2-one?
The canonical SMILES for 1-(2-ethylhexyl)-3-hydroxypyridin-2-one is CCCCC(CC)Cn1cccc(O)c1=O.
What is the InChIKey of 1-(2-ethylhexyl)-3-hydroxypyridin-2-one?
The InChIKey is QZXZCJPQBTUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-7-11(4-2)10-14-9-6-8-12(15)13(14)16/h6,8-9,11,15H,3-5,7,10H2,1-2H3.
What are the key properties of 1-(2-ethylhexyl)-3-hydroxypyridin-2-one?
1-(2-ethylhexyl)-3-hydroxypyridin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-hydroxypyridin-2-one is sourced from PubChem (CID 151678015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).