5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one

C18H22FNO2 — CID 177322220

IUPAC5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1C(C)C
InChIInChI=1S/C18H22FNO2/c1-10(2)17-15(19)7-13(8-16(17)22-6)14-9-20(5)18(21)12(4)11(14)3/h7-10H,1-6H3
InChIKeyDBTBMBJDODGHJF-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.94
Rot. Bonds3

About 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one

5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one (PubChem CID 177322220) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one.

Molecular Properties

Compound Name5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
PubChem CID177322220
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
SMILESCOc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1C(C)C
InChIInChI=1S/C18H22FNO2/c1-10(2)17-15(19)7-13(8-16(17)22-6)14-9-20(5)18(21)12(4)11(14)3/h7-10H,1-6H3
InChIKeyDBTBMBJDODGHJF-UHFFFAOYSA-N
XLogP3.94
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one?
The IUPAC name of 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one (CID 177322220) is 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one.
What is the SMILES notation for 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one?
The canonical SMILES for 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(F)c1C(C)C.
What is the InChIKey of 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one?
The InChIKey is DBTBMBJDODGHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-10(2)17-15(19)7-13(8-16(17)22-6)14-9-20(5)18(21)12(4)11(14)3/h7-10H,1-6H3.
What are the key properties of 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one?
5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one has a molecular weight of 303.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one is sourced from PubChem (CID 177322220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).