3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one

C21H20FNO3 — CID 54687302

IUPAC3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1C(CO)Cc1ccccc1
InChIInChI=1S/C21H20FNO3/c22-17-8-6-16(7-9-17)13-19-20(25)10-11-23(21(19)26)18(14-24)12-15-4-2-1-3-5-15/h1-11,18,24-25H,12-14H2
InChIKeyGAWXENGZOLOKFF-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.06
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one

3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one (PubChem CID 54687302) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one
PubChem CID54687302
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1C(CO)Cc1ccccc1
InChIInChI=1S/C21H20FNO3/c22-17-8-6-16(7-9-17)13-19-20(25)10-11-23(21(19)26)18(14-24)12-15-4-2-1-3-5-15/h1-11,18,24-25H,12-14H2
InChIKeyGAWXENGZOLOKFF-UHFFFAOYSA-N
XLogP3.06
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one (CID 54687302) is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1C(CO)Cc1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one?
The InChIKey is GAWXENGZOLOKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c22-17-8-6-16(7-9-17)13-19-20(25)10-11-23(21(19)26)18(14-24)12-15-4-2-1-3-5-15/h1-11,18,24-25H,12-14H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one?
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one has a molecular weight of 353.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(1-hydroxy-3-phenylpropan-2-yl)pyridin-2-one is sourced from PubChem (CID 54687302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).