2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one

C15H17NO3 — CID 82212023

IUPAC2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCc1ccc(O)cc1
InChIInChI=1S/C15H17NO3/c1-2-13-15(19)14(18)8-10-16(13)9-7-11-3-5-12(17)6-4-11/h3-6,8,10,17,19H,2,7,9H2,1H3
InChIKeyWABKRNGOBMUVRQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.06
Rot. Bonds4

About 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one

2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one (PubChem CID 82212023) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one
PubChem CID82212023
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CCc1ccc(O)cc1
InChIInChI=1S/C15H17NO3/c1-2-13-15(19)14(18)8-10-16(13)9-7-11-3-5-12(17)6-4-11/h3-6,8,10,17,19H,2,7,9H2,1H3
InChIKeyWABKRNGOBMUVRQ-UHFFFAOYSA-N
XLogP2.06
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one (CID 82212023) is 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one is CCc1c(O)c(=O)ccn1CCc1ccc(O)cc1.
What is the InChIKey of 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one?
The InChIKey is WABKRNGOBMUVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-13-15(19)14(18)8-10-16(13)9-7-11-3-5-12(17)6-4-11/h3-6,8,10,17,19H,2,7,9H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one?
2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one has a molecular weight of 259.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one is sourced from PubChem (CID 82212023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).