2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol

C16H12ClFN2O — CID 105124141

IUPAC2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
SMILESOC(Cc1cccc(F)c1Cl)c1cccc2nccnc12
InChIInChI=1S/C16H12ClFN2O/c17-15-10(3-1-5-12(15)18)9-14(21)11-4-2-6-13-16(11)20-8-7-19-13/h1-8,14,21H,9H2
InChIKeyQTISWIRNEIRPHZ-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.70
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol

2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol (PubChem CID 105124141) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
PubChem CID105124141
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
SMILESOC(Cc1cccc(F)c1Cl)c1cccc2nccnc12
InChIInChI=1S/C16H12ClFN2O/c17-15-10(3-1-5-12(15)18)9-14(21)11-4-2-6-13-16(11)20-8-7-19-13/h1-8,14,21H,9H2
InChIKeyQTISWIRNEIRPHZ-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-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
CID 105086789
2-(4-fluoro-2-methylphenyl)-1-quinoxalin-5-ylethanol
CID 105131294
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653460
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(3-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113398316

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol (CID 105124141) is 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol is OC(Cc1cccc(F)c1Cl)c1cccc2nccnc12.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol?
The InChIKey is QTISWIRNEIRPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-15-10(3-1-5-12(15)18)9-14(21)11-4-2-6-13-16(11)20-8-7-19-13/h1-8,14,21H,9H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol?
2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-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-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol is sourced from PubChem (CID 105124141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).