1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone

C22H20FNO2 — CID 57233100

IUPAC1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1cccc(CC(Cc2cccnc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FNO2/c23-21-8-6-18(7-9-21)20(13-17-4-2-10-24-14-17)12-16-3-1-5-19(11-16)22(26)15-25/h1-11,14,20,25H,12-13,15H2
InChIKeyRRWXLBBMLSQKIN-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.96
Rot. Bonds7

About 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone

1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone (PubChem CID 57233100) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone
PubChem CID57233100
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1cccc(CC(Cc2cccnc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20FNO2/c23-21-8-6-18(7-9-21)20(13-17-4-2-10-24-14-17)12-16-3-1-5-19(11-16)22(26)15-25/h1-11,14,20,25H,12-13,15H2
InChIKeyRRWXLBBMLSQKIN-UHFFFAOYSA-N
XLogP3.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone (CID 57233100) is 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone is O=C(CO)c1cccc(CC(Cc2cccnc2)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone?
The InChIKey is RRWXLBBMLSQKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-21-8-6-18(7-9-21)20(13-17-4-2-10-24-14-17)12-16-3-1-5-19(11-16)22(26)15-25/h1-11,14,20,25H,12-13,15H2.
What are the key properties of 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone?
1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone has a molecular weight of 349.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 57233100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).