2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one

C28H30N2O4 — CID 139055912

IUPAC2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1-c1ccc(C)cc1.CCc1c(O)c(=O)ccn1-c1ccc(C)cc1
InChIInChI=1S/2C14H15NO2/c2*1-3-12-14(17)13(16)8-9-15(12)11-6-4-10(2)5-7-11/h2*4-9,17H,3H2,1-2H3
InChIKeySVLWCIWROZXXIN-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.83
Rot. Bonds4

About 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one

2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one (PubChem CID 139055912) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one
PubChem CID139055912
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1-c1ccc(C)cc1.CCc1c(O)c(=O)ccn1-c1ccc(C)cc1
InChIInChI=1S/2C14H15NO2/c2*1-3-12-14(17)13(16)8-9-15(12)11-6-4-10(2)5-7-11/h2*4-9,17H,3H2,1-2H3
InChIKeySVLWCIWROZXXIN-UHFFFAOYSA-N
XLogP4.83
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans,trans-Bis[4-(dimethylamino)benzylidene]acetone
CID 785543
[1-(Biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
CID 53379376
1-(Biphenyl-3-Yl)-3-Hydroxypyridin-4(1h)-One
CID 53380912
1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
CID 21177863
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-phenylpenta-1,4-dien-3-one
CID 14437145
1-biphenyl-3-yl-5-hydroxy-2-methylpyridin-4(1H)-one
CID 67418555
1-(biphenyl-3-yl)-5-hydroxy-2-phenylpyridin-4(1H)-one
CID 67419355
5-Hydroxy-1-(3-phenylphenyl)-2-propan-2-ylpyridin-4-one
CID 69932517
Hydroxy methylphenylpyridinone
CID 10397916
Cyclohexanone, 2,6-bis[[4-(diethylamino)phenyl]methylene]-
CID 2322517
(3Z,5Z)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
CID 45281164
(1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
CID 52936805

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one (CID 139055912) is 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one is CCc1c(O)c(=O)ccn1-c1ccc(C)cc1.CCc1c(O)c(=O)ccn1-c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
The InChIKey is SVLWCIWROZXXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15NO2/c2*1-3-12-14(17)13(16)8-9-15(12)11-6-4-10(2)5-7-11/h2*4-9,17H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one has a molecular weight of 458.56 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one is sourced from PubChem (CID 139055912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).