4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one

C16H19NO2 — CID 90221152

IUPAC4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one
SMILESCC(C)CCc1cc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H19NO2/c1-11(2)8-9-13-10-14(18)15(16(19)17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19)
InChIKeyLVFXBXLSEGPHNN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds4

About 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one

4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one (PubChem CID 90221152) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one
PubChem CID90221152
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one
SMILESCC(C)CCc1cc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C16H19NO2/c1-11(2)8-9-13-10-14(18)15(16(19)17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19)
InChIKeyLVFXBXLSEGPHNN-UHFFFAOYSA-N
XLogP3.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one (CID 90221152) is 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one is CC(C)CCc1cc(O)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one?
The InChIKey is LVFXBXLSEGPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)8-9-13-10-14(18)15(16(19)17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one?
4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(3-methylbutyl)-3-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 90221152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).