4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol

C17H13F3N2O — CID 135923339

IUPAC4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol
SMILESCCc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(O)cc1
InChIInChI=1S/C17H13F3N2O/c1-2-13-15(10-6-8-11(23)9-7-10)22-14-5-3-4-12(16(14)21-13)17(18,19)20/h3-9,23H,2H2,1H3
InChIKeyXXHUTVRSWFHIDJ-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.58
Rot. Bonds2

About 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol

4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol (PubChem CID 135923339) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol
PubChem CID135923339
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol
SMILESCCc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(O)cc1
InChIInChI=1S/C17H13F3N2O/c1-2-13-15(10-6-8-11(23)9-7-10)22-14-5-3-4-12(16(14)21-13)17(18,19)20/h3-9,23H,2H2,1H3
InChIKeyXXHUTVRSWFHIDJ-UHFFFAOYSA-N
XLogP4.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol?
The IUPAC name of 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol (CID 135923339) is 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol.
What is the SMILES notation for 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol?
The canonical SMILES for 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol is CCc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol?
The InChIKey is XXHUTVRSWFHIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-2-13-15(10-6-8-11(23)9-7-10)22-14-5-3-4-12(16(14)21-13)17(18,19)20/h3-9,23H,2H2,1H3.
What are the key properties of 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol?
4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol has a molecular weight of 318.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethyl-5-(trifluoromethyl)quinoxalin-2-yl]phenol is sourced from PubChem (CID 135923339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).