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

C18H23NO2 — CID 54719914

IUPAC1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
SMILESCCCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C18H23NO2/c1-3-4-5-9-12-19-14(2)13-16(20)17(18(19)21)15-10-7-6-8-11-15/h6-8,10-11,13,20H,3-5,9,12H2,1-2H3
InChIKeyGYPSMOZZZVZFFO-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.11
Rot. Bonds6

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

1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one (PubChem CID 54719914) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one.

Molecular Properties

Compound Name1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
PubChem CID54719914
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
SMILESCCCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C18H23NO2/c1-3-4-5-9-12-19-14(2)13-16(20)17(18(19)21)15-10-7-6-8-11-15/h6-8,10-11,13,20H,3-5,9,12H2,1-2H3
InChIKeyGYPSMOZZZVZFFO-UHFFFAOYSA-N
XLogP4.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The IUPAC name of 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one (CID 54719914) is 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one.
What is the SMILES notation for 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The canonical SMILES for 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one is CCCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O.
What is the InChIKey of 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
The InChIKey is GYPSMOZZZVZFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-4-5-9-12-19-14(2)13-16(20)17(18(19)21)15-10-7-6-8-11-15/h6-8,10-11,13,20H,3-5,9,12H2,1-2H3.
What are the key properties of 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one?
1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one is sourced from PubChem (CID 54719914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).