3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol

C20H13FO3S — CID 74222430

IUPAC3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol
SMILESOc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H
InChIKeyUDBMVVLTKJMPCJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.91
Rot. Bonds3

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

3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol (PubChem CID 74222430) has the molecular formula C20H13FO3S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol
PubChem CID74222430
Molecular FormulaC20H13FO3S
Molecular Weight352.39 g/mol
Exact Mass352.06
IUPAC Name3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol
SMILESOc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H
InChIKeyUDBMVVLTKJMPCJ-UHFFFAOYSA-N
XLogP5.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-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

Related Compounds

Lsz-102
CID 118574930
(E)-3-(4-((6-hydroxy-2-(2-(trifluoromethyl)-phenyl)benzo[b] thiophen-3-yl)oxy) phenyl)-acrylic acid
CID 78321756
(E)-3-(4-((2-(4-fluoro-2-(trifluoromethyl)phenyl)-6-hydroxybenzo[b]thiophen-3-yl)oxy)phenyl)acrylic acid
CID 78323657
(E)-3-(4-((2-(2-(1-fluoroethyl)phenyl)-6-hydroxybenzo[b] thiophen-3-yl)oxy)phenyl)acrylic acid
CID 90372437
2-(3-Fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol
CID 11777375
(E)-3-[4-[[2-[3-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
CID 168284496
2-(4-Fluorophenyl)-3-(4-hydroxyphenoxy)-1-benzothiophen-6-ol
CID 73671443
(E)-3-(4-((2-(4-fluoro-2-methylphenyl)-6-hydroxybenzo[b] thiophen-3-yl)oxy) phenyl)-acrylic acid
CID 78321758
(E)-3-(4-((6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thiophen-3-yl)oxy)phenyl)but-2-enoic acid
CID 78322377
(E)-3-(4-((6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)oxy)phenyl)acrylic acid
CID 78322699
(E)-3-[4-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
CID 78323007
(E)-3-(4-((6-hydroxy-2-phenylbenzo[b]thiophen-3-yl)oxy)phenyl)-acrylic acid
CID 78323008

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol (CID 74222430) is 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol is Oc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol?
The InChIKey is UDBMVVLTKJMPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H.
What are the key properties of 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol?
3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol has a molecular weight of 352.39 g/mol, XLogP of 5.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophen-6-ol is sourced from PubChem (CID 74222430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).