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

C17H21NO2 — CID 54719913

IUPAC4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one
SMILESCCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C17H21NO2/c1-3-4-8-11-18-13(2)12-15(19)16(17(18)20)14-9-6-5-7-10-14/h5-7,9-10,12,19H,3-4,8,11H2,1-2H3
InChIKeyDLBYGCVLBQVULD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.72
Rot. Bonds5

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

4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one (PubChem CID 54719913) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one
PubChem CID54719913
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one
SMILESCCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O
InChIInChI=1S/C17H21NO2/c1-3-4-8-11-18-13(2)12-15(19)16(17(18)20)14-9-6-5-7-10-14/h5-7,9-10,12,19H,3-4,8,11H2,1-2H3
InChIKeyDLBYGCVLBQVULD-UHFFFAOYSA-N
XLogP3.72
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.72
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 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one (CID 54719913) is 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one is CCCCCn1c(C)cc(O)c(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one?
The InChIKey is DLBYGCVLBQVULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-4-8-11-18-13(2)12-15(19)16(17(18)20)14-9-6-5-7-10-14/h5-7,9-10,12,19H,3-4,8,11H2,1-2H3.
What are the key properties of 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one?
4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-1-pentyl-3-phenylpyridin-2-one is sourced from PubChem (CID 54719913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).