2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol

C16H12BrFN2O — CID 107357592

IUPAC2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol
SMILESOC(Cc1ccc(F)cc1Br)c1cnc2ccccc2n1
InChIInChI=1S/C16H12BrFN2O/c17-12-8-11(18)6-5-10(12)7-16(21)15-9-19-13-3-1-2-4-14(13)20-15/h1-6,8-9,16,21H,7H2
InChIKeyGWYIQWVUUREUEB-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol

2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol (PubChem CID 107357592) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol
PubChem CID107357592
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol
SMILESOC(Cc1ccc(F)cc1Br)c1cnc2ccccc2n1
InChIInChI=1S/C16H12BrFN2O/c17-12-8-11(18)6-5-10(12)7-16(21)15-9-19-13-3-1-2-4-14(13)20-15/h1-6,8-9,16,21H,7H2
InChIKeyGWYIQWVUUREUEB-UHFFFAOYSA-N
XLogP3.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-quinoxalin-2-ylethanol
CID 107357762
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368
2-(3-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357548
2-(2-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357047
2-(2-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087921
2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357768
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443644
2-(2,4-difluorophenyl)-1-pyridin-2-ylethanol
CID 62195889
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanol
CID 62607396
2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105087930
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol (CID 107357592) is 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol is OC(Cc1ccc(F)cc1Br)c1cnc2ccccc2n1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol?
The InChIKey is GWYIQWVUUREUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c17-12-8-11(18)6-5-10(12)7-16(21)15-9-19-13-3-1-2-4-14(13)20-15/h1-6,8-9,16,21H,7H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol?
2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol has a molecular weight of 347.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol is sourced from PubChem (CID 107357592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).