2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol

C20H11F3O2S — CID 127042930

IUPAC2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol
SMILESOc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(F)c(F)c3)sc2c1
InChIInChI=1S/C20H11F3O2S/c21-12-3-1-11(2-4-12)19-15-7-5-13(24)9-18(15)26-20(19)25-14-6-8-16(22)17(23)10-14/h1-10,24H
InChIKeyJJNJEXAKZLBHGG-UHFFFAOYSA-N
MW372.37 g/mol
LogP6.48
Rot. Bonds3

About 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol

2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol (PubChem CID 127042930) has the molecular formula C20H11F3O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol
PubChem CID127042930
Molecular FormulaC20H11F3O2S
Molecular Weight372.37 g/mol
Exact Mass372.04
IUPAC Name2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol
SMILESOc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(F)c(F)c3)sc2c1
InChIInChI=1S/C20H11F3O2S/c21-12-3-1-11(2-4-12)19-15-7-5-13(24)9-18(15)26-20(19)25-14-6-8-16(22)17(23)10-14/h1-10,24H
InChIKeyJJNJEXAKZLBHGG-UHFFFAOYSA-N
XLogP6.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol 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 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol?
The IUPAC name of 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol (CID 127042930) is 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol?
The canonical SMILES for 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol is Oc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(F)c(F)c3)sc2c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol?
The InChIKey is JJNJEXAKZLBHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3O2S/c21-12-3-1-11(2-4-12)19-15-7-5-13(24)9-18(15)26-20(19)25-14-6-8-16(22)17(23)10-14/h1-10,24H.
What are the key properties of 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol?
2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol has a molecular weight of 372.37 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol is sourced from PubChem (CID 127042930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).