1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone

C22H15FN2O2 — CID 1280575

IUPAC1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone
SMILESO=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O2/c23-17-9-5-16(6-10-17)22(26)14-27-18-11-7-15(8-12-18)21-13-24-19-3-1-2-4-20(19)25-21/h1-13H,14H2
InChIKeyBFEZXDXFMUCXKB-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.70
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone

1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone (PubChem CID 1280575) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone
PubChem CID1280575
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone
SMILESO=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O2/c23-17-9-5-16(6-10-17)22(26)14-27-18-11-7-15(8-12-18)21-13-24-19-3-1-2-4-20(19)25-21/h1-13H,14H2
InChIKeyBFEZXDXFMUCXKB-UHFFFAOYSA-N
XLogP4.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone (CID 1280575) is 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone is O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone?
The InChIKey is BFEZXDXFMUCXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-17-9-5-16(6-10-17)22(26)14-27-18-11-7-15(8-12-18)21-13-24-19-3-1-2-4-20(19)25-21/h1-13H,14H2.
What are the key properties of 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone?
1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone has a molecular weight of 358.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)ethanone is sourced from PubChem (CID 1280575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).