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

C15H17NO2 — CID 71457549

IUPAC4-butyl-1-hydroxy-6-phenylpyridin-2-one
SMILESCCCCc1cc(-c2ccccc2)n(O)c(=O)c1
InChIInChI=1S/C15H17NO2/c1-2-3-7-12-10-14(16(18)15(17)11-12)13-8-5-4-6-9-13/h4-6,8-11,18H,2-3,7H2,1H3
InChIKeyMAVGRPMDCIBTKF-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.10
Rot. Bonds4

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

4-butyl-1-hydroxy-6-phenylpyridin-2-one (PubChem CID 71457549) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-butyl-1-hydroxy-6-phenylpyridin-2-one.

Molecular Properties

Compound Name4-butyl-1-hydroxy-6-phenylpyridin-2-one
PubChem CID71457549
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-butyl-1-hydroxy-6-phenylpyridin-2-one
SMILESCCCCc1cc(-c2ccccc2)n(O)c(=O)c1
InChIInChI=1S/C15H17NO2/c1-2-3-7-12-10-14(16(18)15(17)11-12)13-8-5-4-6-9-13/h4-6,8-11,18H,2-3,7H2,1H3
InChIKeyMAVGRPMDCIBTKF-UHFFFAOYSA-N
XLogP3.10
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-hydroxy-6-phenylpyridin-2-one?
The IUPAC name of 4-butyl-1-hydroxy-6-phenylpyridin-2-one (CID 71457549) is 4-butyl-1-hydroxy-6-phenylpyridin-2-one.
What is the SMILES notation for 4-butyl-1-hydroxy-6-phenylpyridin-2-one?
The canonical SMILES for 4-butyl-1-hydroxy-6-phenylpyridin-2-one is CCCCc1cc(-c2ccccc2)n(O)c(=O)c1.
What is the InChIKey of 4-butyl-1-hydroxy-6-phenylpyridin-2-one?
The InChIKey is MAVGRPMDCIBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-3-7-12-10-14(16(18)15(17)11-12)13-8-5-4-6-9-13/h4-6,8-11,18H,2-3,7H2,1H3.
What are the key properties of 4-butyl-1-hydroxy-6-phenylpyridin-2-one?
4-butyl-1-hydroxy-6-phenylpyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-hydroxy-6-phenylpyridin-2-one is sourced from PubChem (CID 71457549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).