6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one

C22H23NO2 — CID 132961590

IUPAC6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)n(O)c(=O)c1
InChIInChI=1S/C22H23NO2/c1-15-13-20(23(25)21(24)14-15)18-7-5-16(6-8-18)17-9-11-19(12-10-17)22(2,3)4/h5-14,25H,1-4H3
InChIKeyGNNXCXPUJGUUEC-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.03
Rot. Bonds2

About 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one

6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one (PubChem CID 132961590) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
PubChem CID132961590
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)n(O)c(=O)c1
InChIInChI=1S/C22H23NO2/c1-15-13-20(23(25)21(24)14-15)18-7-5-16(6-8-18)17-9-11-19(12-10-17)22(2,3)4/h5-14,25H,1-4H3
InChIKeyGNNXCXPUJGUUEC-UHFFFAOYSA-N
XLogP5.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.03
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 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one (CID 132961590) is 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one is Cc1cc(-c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)n(O)c(=O)c1.
What is the InChIKey of 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is GNNXCXPUJGUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-15-13-20(23(25)21(24)14-15)18-7-5-16(6-8-18)17-9-11-19(12-10-17)22(2,3)4/h5-14,25H,1-4H3.
What are the key properties of 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one?
6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 132961590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).