2-(2-quinoxalin-2-ylethoxy)ethanol

C12H14N2O2 — CID 90739354

IUPAC2-(2-quinoxalin-2-ylethoxy)ethanol
SMILESOCCOCCc1cnc2ccccc2n1
InChIInChI=1S/C12H14N2O2/c15-6-8-16-7-5-10-9-13-11-3-1-2-4-12(11)14-10/h1-4,9,15H,5-8H2
InChIKeyCTMVLLKHVVINKC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.18
Rot. Bonds5

About 2-(2-quinoxalin-2-ylethoxy)ethanol

2-(2-quinoxalin-2-ylethoxy)ethanol (PubChem CID 90739354) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-quinoxalin-2-ylethoxy)ethanol.

Molecular Properties

Compound Name2-(2-quinoxalin-2-ylethoxy)ethanol
PubChem CID90739354
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-quinoxalin-2-ylethoxy)ethanol
SMILESOCCOCCc1cnc2ccccc2n1
InChIInChI=1S/C12H14N2O2/c15-6-8-16-7-5-10-9-13-11-3-1-2-4-12(11)14-10/h1-4,9,15H,5-8H2
InChIKeyCTMVLLKHVVINKC-UHFFFAOYSA-N
XLogP1.18
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinoxalin-2-ylethoxy)ethanol?
The IUPAC name of 2-(2-quinoxalin-2-ylethoxy)ethanol (CID 90739354) is 2-(2-quinoxalin-2-ylethoxy)ethanol.
What is the SMILES notation for 2-(2-quinoxalin-2-ylethoxy)ethanol?
The canonical SMILES for 2-(2-quinoxalin-2-ylethoxy)ethanol is OCCOCCc1cnc2ccccc2n1.
What is the InChIKey of 2-(2-quinoxalin-2-ylethoxy)ethanol?
The InChIKey is CTMVLLKHVVINKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-6-8-16-7-5-10-9-13-11-3-1-2-4-12(11)14-10/h1-4,9,15H,5-8H2.
What are the key properties of 2-(2-quinoxalin-2-ylethoxy)ethanol?
2-(2-quinoxalin-2-ylethoxy)ethanol has a molecular weight of 218.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinoxalin-2-ylethoxy)ethanol is sourced from PubChem (CID 90739354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).