1-quinoxalin-2-ylpropan-2-ol

C11H12N2O — CID 63201625

IUPAC1-quinoxalin-2-ylpropan-2-ol
SMILESCC(O)Cc1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O/c1-8(14)6-9-7-12-10-4-2-3-5-11(10)13-9/h2-5,7-8,14H,6H2,1H3
InChIKeyGBQKVVLJPPMPNQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds2

About 1-quinoxalin-2-ylpropan-2-ol

1-quinoxalin-2-ylpropan-2-ol (PubChem CID 63201625) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-quinoxalin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-quinoxalin-2-ylpropan-2-ol
PubChem CID63201625
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-quinoxalin-2-ylpropan-2-ol
SMILESCC(O)Cc1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O/c1-8(14)6-9-7-12-10-4-2-3-5-11(10)13-9/h2-5,7-8,14H,6H2,1H3
InChIKeyGBQKVVLJPPMPNQ-UHFFFAOYSA-N
XLogP1.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylpropan-2-ol?
The IUPAC name of 1-quinoxalin-2-ylpropan-2-ol (CID 63201625) is 1-quinoxalin-2-ylpropan-2-ol.
What is the SMILES notation for 1-quinoxalin-2-ylpropan-2-ol?
The canonical SMILES for 1-quinoxalin-2-ylpropan-2-ol is CC(O)Cc1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylpropan-2-ol?
The InChIKey is GBQKVVLJPPMPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(14)6-9-7-12-10-4-2-3-5-11(10)13-9/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 1-quinoxalin-2-ylpropan-2-ol?
1-quinoxalin-2-ylpropan-2-ol has a molecular weight of 188.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylpropan-2-ol is sourced from PubChem (CID 63201625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).