(4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone

C21H12F2O2S — CID 127042898

IUPAC(4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H12F2O2S/c22-14-5-1-12(2-6-14)19-17-10-9-16(24)11-18(17)26-21(19)20(25)13-3-7-15(23)8-4-13/h1-11,24H
InChIKeyAUGATXQNUDVPAJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP5.78
Rot. Bonds3

About (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone

(4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone (PubChem CID 127042898) has the molecular formula C21H12F2O2S and a molecular weight of 366.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone
PubChem CID127042898
Molecular FormulaC21H12F2O2S
Molecular Weight366.39 g/mol
Exact Mass366.05
IUPAC Name(4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H12F2O2S/c22-14-5-1-12(2-6-14)19-17-10-9-16(24)11-18(17)26-21(19)20(25)13-3-7-15(23)8-4-13/h1-11,24H
InChIKeyAUGATXQNUDVPAJ-UHFFFAOYSA-N
XLogP5.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone 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-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone (CID 127042898) is (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone is O=C(c1ccc(F)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone?
The InChIKey is AUGATXQNUDVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2O2S/c22-14-5-1-12(2-6-14)19-17-10-9-16(24)11-18(17)26-21(19)20(25)13-3-7-15(23)8-4-13/h1-11,24H.
What are the key properties of (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone?
(4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone has a molecular weight of 366.39 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 127042898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).