2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol

C14H9FO3S — CID 24768258

IUPAC2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol
SMILESOc1cc(O)c2cc(-c3ccc(O)c(F)c3)sc2c1
InChIInChI=1S/C14H9FO3S/c15-10-3-7(1-2-11(10)17)13-6-9-12(18)4-8(16)5-14(9)19-13/h1-6,16-18H
InChIKeyFHRLXXNPJFFTRA-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.82
Rot. Bonds1

About 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol

2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol (PubChem CID 24768258) has the molecular formula C14H9FO3S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol
PubChem CID24768258
Molecular FormulaC14H9FO3S
Molecular Weight276.29 g/mol
Exact Mass276.03
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol
SMILESOc1cc(O)c2cc(-c3ccc(O)c(F)c3)sc2c1
InChIInChI=1S/C14H9FO3S/c15-10-3-7(1-2-11(10)17)13-6-9-12(18)4-8(16)5-14(9)19-13/h1-6,16-18H
InChIKeyFHRLXXNPJFFTRA-UHFFFAOYSA-N
XLogP3.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol 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

2-(4-Hydroxyphenyl)benzo(b)thiophen-6-ol
CID 445920
2-(4-Methylphenyl)-1-benzothiophen-6-ol
CID 10933614
2-Phenyl-1-benzothiophen-6-ol
CID 11117751
2-(3-Ethyl-4-hydroxyphenyl)-1-benzothiophen-6-ol
CID 10901682
2-(4-Hydroxy-3-methylphenyl)-1-benzothiophen-6-ol
CID 10956181
2-(3-Hydroxyphenyl)-1-benzothiophen-6-ol
CID 10999188
2-(4-Hydroxy-2-methylphenyl)-1-benzothiophen-6-ol
CID 10999677
2-(4-Hydroxy-3-propylphenyl)-1-benzothiophen-6-ol
CID 11022432
4-(6-Hydroxy-1-benzothiophen-2-yl)benzene-1,2-diol
CID 11086416
2-(3-Fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol
CID 11777375
4-[Benzo(b)thiophen-2-yl]phenol
CID 10220170
1-Hydroxydibenzothiophene
CID 150130

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol (CID 24768258) is 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol is Oc1cc(O)c2cc(-c3ccc(O)c(F)c3)sc2c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol?
The InChIKey is FHRLXXNPJFFTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3S/c15-10-3-7(1-2-11(10)17)13-6-9-12(18)4-8(16)5-14(9)19-13/h1-6,16-18H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol?
2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol has a molecular weight of 276.29 g/mol, XLogP of 3.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol is sourced from PubChem (CID 24768258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).