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

C9H7FO2S — CID 131196384

IUPAC3-fluoro-6-methoxy-1-benzothiophen-7-ol
SMILESCOc1ccc2c(F)csc2c1O
InChIInChI=1S/C9H7FO2S/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-4,11H,1H3
InChIKeyVHIKEAZGKVKNAZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.75
Rot. Bonds1

About 3-fluoro-6-methoxy-1-benzothiophen-7-ol

3-fluoro-6-methoxy-1-benzothiophen-7-ol (PubChem CID 131196384) has the molecular formula C9H7FO2S and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-fluoro-6-methoxy-1-benzothiophen-7-ol.

Molecular Properties

Compound Name3-fluoro-6-methoxy-1-benzothiophen-7-ol
PubChem CID131196384
Molecular FormulaC9H7FO2S
Molecular Weight198.22 g/mol
Exact Mass198.02
IUPAC Name3-fluoro-6-methoxy-1-benzothiophen-7-ol
SMILESCOc1ccc2c(F)csc2c1O
InChIInChI=1S/C9H7FO2S/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-4,11H,1H3
InChIKeyVHIKEAZGKVKNAZ-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

3-fluoro-7-methoxy-6-methyl-1-benzothiophene
CID 130805240
3-fluoro-7-methoxy-4-methyl-1-benzothiophene
CID 130883958
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
7-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 130792106
6-ethoxy-3-methyl-1-benzothiophen-7-ol
CID 130826703
5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
CID 130878487
7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
CID 130839755
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 131053295
4-fluoro-7-methoxy-1-benzothiophen-3-amine
CID 130866136
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041
3-fluorothieno[3,4-b]thiophen-6-ol
CID 146521378

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methoxy-1-benzothiophen-7-ol?
The IUPAC name of 3-fluoro-6-methoxy-1-benzothiophen-7-ol (CID 131196384) is 3-fluoro-6-methoxy-1-benzothiophen-7-ol.
What is the SMILES notation for 3-fluoro-6-methoxy-1-benzothiophen-7-ol?
The canonical SMILES for 3-fluoro-6-methoxy-1-benzothiophen-7-ol is COc1ccc2c(F)csc2c1O.
What is the InChIKey of 3-fluoro-6-methoxy-1-benzothiophen-7-ol?
The InChIKey is VHIKEAZGKVKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2S/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-4,11H,1H3.
What are the key properties of 3-fluoro-6-methoxy-1-benzothiophen-7-ol?
3-fluoro-6-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 3-fluoro-6-methoxy-1-benzothiophen-7-ol is sourced from PubChem (CID 131196384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).