6-fluoro-7-methoxy-1-benzothiophen-4-ol

C9H7FO2S — CID 130857297

IUPAC6-fluoro-7-methoxy-1-benzothiophen-4-ol
SMILESCOc1c(F)cc(O)c2ccsc12
InChIInChI=1S/C9H7FO2S/c1-12-8-6(10)4-7(11)5-2-3-13-9(5)8/h2-4,11H,1H3
InChIKeyQEPGGCCXYTYVGF-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.75
Rot. Bonds1

About 6-fluoro-7-methoxy-1-benzothiophen-4-ol

6-fluoro-7-methoxy-1-benzothiophen-4-ol (PubChem CID 130857297) has the molecular formula C9H7FO2S and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-fluoro-7-methoxy-1-benzothiophen-4-ol
PubChem CID130857297
Molecular FormulaC9H7FO2S
Molecular Weight198.22 g/mol
Exact Mass198.02
IUPAC Name6-fluoro-7-methoxy-1-benzothiophen-4-ol
SMILESCOc1c(F)cc(O)c2ccsc12
InChIInChI=1S/C9H7FO2S/c1-12-8-6(10)4-7(11)5-2-3-13-9(5)8/h2-4,11H,1H3
InChIKeyQEPGGCCXYTYVGF-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
CID 130821413
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
4-fluoro-5-methoxy-1-benzothiophen-7-ol
CID 131196385
4-methoxythieno[2,3-f][1]benzothiol-8-ol
CID 144770940
5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
CID 131196121
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
4-methoxy-1-benzothiophen-7-ol
CID 119095255
4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220
5-fluoro-7-methoxy-1-benzothiophene-6-thiol
CID 131150647
5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
CID 130941216
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-1-benzothiophen-4-ol?
The IUPAC name of 6-fluoro-7-methoxy-1-benzothiophen-4-ol (CID 130857297) is 6-fluoro-7-methoxy-1-benzothiophen-4-ol.
What is the SMILES notation for 6-fluoro-7-methoxy-1-benzothiophen-4-ol?
The canonical SMILES for 6-fluoro-7-methoxy-1-benzothiophen-4-ol is COc1c(F)cc(O)c2ccsc12.
What is the InChIKey of 6-fluoro-7-methoxy-1-benzothiophen-4-ol?
The InChIKey is QEPGGCCXYTYVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2S/c1-12-8-6(10)4-7(11)5-2-3-13-9(5)8/h2-4,11H,1H3.
What are the key properties of 6-fluoro-7-methoxy-1-benzothiophen-4-ol?
6-fluoro-7-methoxy-1-benzothiophen-4-ol has a molecular weight of 198.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-1-benzothiophen-4-ol is sourced from PubChem (CID 130857297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).