4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one

C18H22FNO3 — CID 14726083

IUPAC4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCOCc1c(-c2ccc(F)cc2)c(CO)c(C(C)C)n(C)c1=O
InChIInChI=1S/C18H22FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-23-4)18(22)20(17)3/h5-8,11,21H,9-10H2,1-4H3
InChIKeyADMHZHBUNVEVOR-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.95
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one

4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one (PubChem CID 14726083) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one
PubChem CID14726083
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one
SMILESCOCc1c(-c2ccc(F)cc2)c(CO)c(C(C)C)n(C)c1=O
InChIInChI=1S/C18H22FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-23-4)18(22)20(17)3/h5-8,11,21H,9-10H2,1-4H3
InChIKeyADMHZHBUNVEVOR-UHFFFAOYSA-N
XLogP2.95
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one (CID 14726083) is 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one is COCc1c(-c2ccc(F)cc2)c(CO)c(C(C)C)n(C)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one?
The InChIKey is ADMHZHBUNVEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-11(2)17-14(9-21)16(12-5-7-13(19)8-6-12)15(10-23-4)18(22)20(17)3/h5-8,11,21H,9-10H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one?
4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one has a molecular weight of 319.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(hydroxymethyl)-3-(methoxymethyl)-1-methyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 14726083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).