3-phenyl-1-quinoxalin-2-ylpropan-1-ol

C17H16N2O — CID 107357546

IUPAC3-phenyl-1-quinoxalin-2-ylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H16N2O/c20-17(11-10-13-6-2-1-3-7-13)16-12-18-14-8-4-5-9-15(14)19-16/h1-9,12,17,20H,10-11H2
InChIKeyDAAYGUQTSAOKOU-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds4

About 3-phenyl-1-quinoxalin-2-ylpropan-1-ol

3-phenyl-1-quinoxalin-2-ylpropan-1-ol (PubChem CID 107357546) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-phenyl-1-quinoxalin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-phenyl-1-quinoxalin-2-ylpropan-1-ol
PubChem CID107357546
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-phenyl-1-quinoxalin-2-ylpropan-1-ol
SMILESOC(CCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H16N2O/c20-17(11-10-13-6-2-1-3-7-13)16-12-18-14-8-4-5-9-15(14)19-16/h1-9,12,17,20H,10-11H2
InChIKeyDAAYGUQTSAOKOU-UHFFFAOYSA-N
XLogP3.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-quinoxalin-2-ylpropan-1-ol?
The IUPAC name of 3-phenyl-1-quinoxalin-2-ylpropan-1-ol (CID 107357546) is 3-phenyl-1-quinoxalin-2-ylpropan-1-ol.
What is the SMILES notation for 3-phenyl-1-quinoxalin-2-ylpropan-1-ol?
The canonical SMILES for 3-phenyl-1-quinoxalin-2-ylpropan-1-ol is OC(CCc1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of 3-phenyl-1-quinoxalin-2-ylpropan-1-ol?
The InChIKey is DAAYGUQTSAOKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17(11-10-13-6-2-1-3-7-13)16-12-18-14-8-4-5-9-15(14)19-16/h1-9,12,17,20H,10-11H2.
What are the key properties of 3-phenyl-1-quinoxalin-2-ylpropan-1-ol?
3-phenyl-1-quinoxalin-2-ylpropan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-quinoxalin-2-ylpropan-1-ol is sourced from PubChem (CID 107357546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).