1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one

C16H19NO2 — CID 54719912

IUPAC1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
SMILESCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C16H19NO2/c1-3-4-10-17-12(2)11-14(18)15(16(17)19)13-8-6-5-7-9-13/h5-9,11,18H,3-4,10H2,1-2H3
InChIKeyPXONZRLUEISDNP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.33
Rot. Bonds4

About 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one

1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one (PubChem CID 54719912) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
PubChem CID54719912
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
SMILESCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C16H19NO2/c1-3-4-10-17-12(2)11-14(18)15(16(17)19)13-8-6-5-7-9-13/h5-9,11,18H,3-4,10H2,1-2H3
InChIKeyPXONZRLUEISDNP-UHFFFAOYSA-N
XLogP3.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The IUPAC name of 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one (CID 54719912) is 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one.
What is the SMILES notation for 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The canonical SMILES for 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one is CCCCn1c(C)cc(O)c(-c2ccccc2)c1=O.
What is the InChIKey of 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The InChIKey is PXONZRLUEISDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-4-10-17-12(2)11-14(18)15(16(17)19)13-8-6-5-7-9-13/h5-9,11,18H,3-4,10H2,1-2H3.
What are the key properties of 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one is sourced from PubChem (CID 54719912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).