2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol

C16H12Cl2N2O — CID 105086789

IUPAC2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cccc2nccnc12
InChIInChI=1S/C16H12Cl2N2O/c17-11-5-4-10(13(18)9-11)8-15(21)12-2-1-3-14-16(12)20-7-6-19-14/h1-7,9,15,21H,8H2
InChIKeyQRNIGJYMLNQBIR-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.21
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol

2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol (PubChem CID 105086789) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
PubChem CID105086789
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cccc2nccnc12
InChIInChI=1S/C16H12Cl2N2O/c17-11-5-4-10(13(18)9-11)8-15(21)12-2-1-3-14-16(12)20-7-6-19-14/h1-7,9,15,21H,8H2
InChIKeyQRNIGJYMLNQBIR-UHFFFAOYSA-N
XLogP4.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
CID 105124141
2-(4-fluoro-2-methylphenyl)-1-quinoxalin-5-ylethanol
CID 105131294
1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 55187922
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
(4-chlorophenyl)-quinoxalin-5-ylmethanol
CID 105120341
(2,5-dichlorophenyl)-quinoxalin-5-ylmethanamine
CID 105142151
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
[2-(4-chlorophenyl)-1-quinoxalin-5-ylethyl]hydrazine
CID 105283316
1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 106695721
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol (CID 105086789) is 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol is OC(Cc1ccc(Cl)cc1Cl)c1cccc2nccnc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol?
The InChIKey is QRNIGJYMLNQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-11-5-4-10(13(18)9-11)8-15(21)12-2-1-3-14-16(12)20-7-6-19-14/h1-7,9,15,21H,8H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol?
2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol has a molecular weight of 319.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol is sourced from PubChem (CID 105086789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).