4-fluoro-1-benzothiophen-6-ol

C8H5FOS — CID 68660373

IUPAC4-fluoro-1-benzothiophen-6-ol
SMILESOc1cc(F)c2ccsc2c1
InChIInChI=1S/C8H5FOS/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4,10H
InChIKeyGGZRRMAVBWBIRZ-UHFFFAOYSA-N
MW168.19 g/mol
LogP2.75
Rot. Bonds

About 4-fluoro-1-benzothiophen-6-ol

4-fluoro-1-benzothiophen-6-ol (PubChem CID 68660373) has the molecular formula C8H5FOS and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-fluoro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name4-fluoro-1-benzothiophen-6-ol
PubChem CID68660373
Molecular FormulaC8H5FOS
Molecular Weight168.19 g/mol
Exact Mass168.00
IUPAC Name4-fluoro-1-benzothiophen-6-ol
SMILESOc1cc(F)c2ccsc2c1
InChIInChI=1S/C8H5FOS/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4,10H
InChIKeyGGZRRMAVBWBIRZ-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Hydroxyphenyl)benzo(b)thiophen-6-ol
CID 445920
Benzo(b)thiophen-4-ol
CID 19217
Benzo(b)thiophene-3-ol
CID 10629
Benzo(b)thiophene-6-ol
CID 88004
Benzo[b]thiophen-5-ol
CID 12203499
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-(3-Fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol
CID 11777375
2-(3-Fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-diol
CID 24768258

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-benzothiophen-6-ol?
The IUPAC name of 4-fluoro-1-benzothiophen-6-ol (CID 68660373) is 4-fluoro-1-benzothiophen-6-ol.
What is the SMILES notation for 4-fluoro-1-benzothiophen-6-ol?
The canonical SMILES for 4-fluoro-1-benzothiophen-6-ol is Oc1cc(F)c2ccsc2c1.
What is the InChIKey of 4-fluoro-1-benzothiophen-6-ol?
The InChIKey is GGZRRMAVBWBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FOS/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1-4,10H.
What are the key properties of 4-fluoro-1-benzothiophen-6-ol?
4-fluoro-1-benzothiophen-6-ol has a molecular weight of 168.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-benzothiophen-6-ol is sourced from PubChem (CID 68660373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).