2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol

C16H12ClFN2O — CID 107357768

IUPAC2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol
SMILESOC(Cc1cccc(Cl)c1F)c1cnc2ccccc2n1
InChIInChI=1S/C16H12ClFN2O/c17-11-5-3-4-10(16(11)18)8-15(21)14-9-19-12-6-1-2-7-13(12)20-14/h1-7,9,15,21H,8H2
InChIKeyXCAXMGOLGXLBBQ-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.70
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol

2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol (PubChem CID 107357768) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol
PubChem CID107357768
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol
SMILESOC(Cc1cccc(Cl)c1F)c1cnc2ccccc2n1
InChIInChI=1S/C16H12ClFN2O/c17-11-5-3-4-10(16(11)18)8-15(21)14-9-19-12-6-1-2-7-13(12)20-14/h1-7,9,15,21H,8H2
InChIKeyXCAXMGOLGXLBBQ-UHFFFAOYSA-N
XLogP3.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357548
2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 102867495
2-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)ethanol
CID 82802842
2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357592
2-(5-fluoro-2-methylphenyl)-1-quinoxalin-2-ylethanol
CID 107357762
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
1-quinoxalin-2-ylbut-3-yn-1-ol
CID 86630247
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 82789499
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol (CID 107357768) is 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol is OC(Cc1cccc(Cl)c1F)c1cnc2ccccc2n1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol?
The InChIKey is XCAXMGOLGXLBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-11-5-3-4-10(16(11)18)8-15(21)14-9-19-12-6-1-2-7-13(12)20-14/h1-7,9,15,21H,8H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol?
2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol has a molecular weight of 302.74 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol is sourced from PubChem (CID 107357768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).