2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol

C17H15ClN2O — CID 106868052

IUPAC2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
SMILESCc1ccc(CC(O)c2cccc3nccnc23)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11-5-6-12(14(18)9-11)10-16(21)13-3-2-4-15-17(13)20-8-7-19-15/h2-9,16,21H,10H2,1H3
InChIKeyXWOOQPZFRPYMOO-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol

2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol (PubChem CID 106868052) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
PubChem CID106868052
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
SMILESCc1ccc(CC(O)c2cccc3nccnc23)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11-5-6-12(14(18)9-11)10-16(21)13-3-2-4-15-17(13)20-8-7-19-15/h2-9,16,21H,10H2,1H3
InChIKeyXWOOQPZFRPYMOO-UHFFFAOYSA-N
XLogP3.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.87
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
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
CID 105124141
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 106866608
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol (CID 106868052) is 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol is Cc1ccc(CC(O)c2cccc3nccnc23)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol?
The InChIKey is XWOOQPZFRPYMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-5-6-12(14(18)9-11)10-16(21)13-3-2-4-15-17(13)20-8-7-19-15/h2-9,16,21H,10H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol?
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol has a molecular weight of 298.77 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol is sourced from PubChem (CID 106868052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).