1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

C18H20FNO2 — CID 54697817

IUPAC1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1C1CCCCC1
InChIInChI=1S/C18H20FNO2/c19-14-8-6-13(7-9-14)12-16-17(21)10-11-20(18(16)22)15-4-2-1-3-5-15/h6-11,15,21H,1-5,12H2
InChIKeyAUCCOQYIZAFNKU-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.79
Rot. Bonds3

About 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (PubChem CID 54697817) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
PubChem CID54697817
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1C1CCCCC1
InChIInChI=1S/C18H20FNO2/c19-14-8-6-13(7-9-14)12-16-17(21)10-11-20(18(16)22)15-4-2-1-3-5-15/h6-11,15,21H,1-5,12H2
InChIKeyAUCCOQYIZAFNKU-UHFFFAOYSA-N
XLogP3.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one (CID 54697817) is 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
The InChIKey is AUCCOQYIZAFNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-14-8-6-13(7-9-14)12-16-17(21)10-11-20(18(16)22)15-4-2-1-3-5-15/h6-11,15,21H,1-5,12H2.
What are the key properties of 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one?
1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one has a molecular weight of 301.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54697817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).