4-fluoro-5-methoxy-1-benzothiophen-7-ol

C9H7FO2S — CID 131196385

IUPAC4-fluoro-5-methoxy-1-benzothiophen-7-ol
SMILESCOc1cc(O)c2sccc2c1F
InChIInChI=1S/C9H7FO2S/c1-12-7-4-6(11)9-5(8(7)10)2-3-13-9/h2-4,11H,1H3
InChIKeyZUMTWLYUKJKVQW-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.75
Rot. Bonds1

About 4-fluoro-5-methoxy-1-benzothiophen-7-ol

4-fluoro-5-methoxy-1-benzothiophen-7-ol (PubChem CID 131196385) has the molecular formula C9H7FO2S and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-benzothiophen-7-ol
PubChem CID131196385
Molecular FormulaC9H7FO2S
Molecular Weight198.22 g/mol
Exact Mass198.02
IUPAC Name4-fluoro-5-methoxy-1-benzothiophen-7-ol
SMILESCOc1cc(O)c2sccc2c1F
InChIInChI=1S/C9H7FO2S/c1-12-7-4-6(11)9-5(8(7)10)2-3-13-9/h2-4,11H,1H3
InChIKeyZUMTWLYUKJKVQW-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

4-fluoro-5-methoxy-7-methyl-1-benzothiophene
CID 130925600
4-methoxy-1-benzothiophen-7-ol
CID 119095255
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
CID 131196121
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
4,7-dimethoxy-1-benzothiophene
CID 11095506
7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
CID 130821413
2-fluoro-5-methoxy-3,4-dimethylphenol
CID 10607234
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-benzothiophen-7-ol?
The IUPAC name of 4-fluoro-5-methoxy-1-benzothiophen-7-ol (CID 131196385) is 4-fluoro-5-methoxy-1-benzothiophen-7-ol.
What is the SMILES notation for 4-fluoro-5-methoxy-1-benzothiophen-7-ol?
The canonical SMILES for 4-fluoro-5-methoxy-1-benzothiophen-7-ol is COc1cc(O)c2sccc2c1F.
What is the InChIKey of 4-fluoro-5-methoxy-1-benzothiophen-7-ol?
The InChIKey is ZUMTWLYUKJKVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2S/c1-12-7-4-6(11)9-5(8(7)10)2-3-13-9/h2-4,11H,1H3.
What are the key properties of 4-fluoro-5-methoxy-1-benzothiophen-7-ol?
4-fluoro-5-methoxy-1-benzothiophen-7-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 4-fluoro-5-methoxy-1-benzothiophen-7-ol is sourced from PubChem (CID 131196385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).