4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one

C18H14FNO2 — CID 68866689

IUPAC4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one
SMILESO=c1cc(Cc2ccccc2)ccn1-c1ccc(O)c(F)c1
InChIInChI=1S/C18H14FNO2/c19-16-12-15(6-7-17(16)21)20-9-8-14(11-18(20)22)10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2
InChIKeyDWFFCJQODAYKQG-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.27
Rot. Bonds3

About 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one

4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one (PubChem CID 68866689) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one
PubChem CID68866689
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one
SMILESO=c1cc(Cc2ccccc2)ccn1-c1ccc(O)c(F)c1
InChIInChI=1S/C18H14FNO2/c19-16-12-15(6-7-17(16)21)20-9-8-14(11-18(20)22)10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2
InChIKeyDWFFCJQODAYKQG-UHFFFAOYSA-N
XLogP3.27
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one?
The IUPAC name of 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one (CID 68866689) is 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one.
What is the SMILES notation for 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one?
The canonical SMILES for 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one is O=c1cc(Cc2ccccc2)ccn1-c1ccc(O)c(F)c1.
What is the InChIKey of 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one?
The InChIKey is DWFFCJQODAYKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-16-12-15(6-7-17(16)21)20-9-8-14(11-18(20)22)10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2.
What are the key properties of 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one?
4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one has a molecular weight of 295.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-fluoro-4-hydroxyphenyl)pyridin-2-one is sourced from PubChem (CID 68866689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).