3-ethoxy-7-fluoro-1-benzothiophen-5-ol

C10H9FO2S — CID 131060270

IUPAC3-ethoxy-7-fluoro-1-benzothiophen-5-ol
SMILESCCOc1csc2c(F)cc(O)cc12
InChIInChI=1S/C10H9FO2S/c1-2-13-9-5-14-10-7(9)3-6(12)4-8(10)11/h3-5,12H,2H2,1H3
InChIKeyMGFTVRDLJDDIJI-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.14
Rot. Bonds2

About 3-ethoxy-7-fluoro-1-benzothiophen-5-ol

3-ethoxy-7-fluoro-1-benzothiophen-5-ol (PubChem CID 131060270) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-ethoxy-7-fluoro-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-ethoxy-7-fluoro-1-benzothiophen-5-ol
PubChem CID131060270
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name3-ethoxy-7-fluoro-1-benzothiophen-5-ol
SMILESCCOc1csc2c(F)cc(O)cc12
InChIInChI=1S/C10H9FO2S/c1-2-13-9-5-14-10-7(9)3-6(12)4-8(10)11/h3-5,12H,2H2,1H3
InChIKeyMGFTVRDLJDDIJI-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol
CID 130942191
4-ethoxy-3-fluoro-1-benzothiophen-6-ol
CID 130870634
7-chloro-3-ethoxy-5-methyl-1-benzothiophene
CID 130803883
5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
CID 131033808
3,4,5-triethoxyphenol
CID 19754898
2-ethoxy-4,5-difluorophenol
CID 131306358
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
5-chloro-7-fluoro-3-methoxy-1-benzothiophene
CID 130866178
5-ethoxy-2,4-difluorophenol
CID 125116194
5-chloro-3-ethoxy-1-benzothiophene
CID 119095235
6-ethoxy-3-methyl-1-benzothiophen-7-ol
CID 130826703

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-fluoro-1-benzothiophen-5-ol?
The IUPAC name of 3-ethoxy-7-fluoro-1-benzothiophen-5-ol (CID 131060270) is 3-ethoxy-7-fluoro-1-benzothiophen-5-ol.
What is the SMILES notation for 3-ethoxy-7-fluoro-1-benzothiophen-5-ol?
The canonical SMILES for 3-ethoxy-7-fluoro-1-benzothiophen-5-ol is CCOc1csc2c(F)cc(O)cc12.
What is the InChIKey of 3-ethoxy-7-fluoro-1-benzothiophen-5-ol?
The InChIKey is MGFTVRDLJDDIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-2-13-9-5-14-10-7(9)3-6(12)4-8(10)11/h3-5,12H,2H2,1H3.
What are the key properties of 3-ethoxy-7-fluoro-1-benzothiophen-5-ol?
3-ethoxy-7-fluoro-1-benzothiophen-5-ol has a molecular weight of 212.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-fluoro-1-benzothiophen-5-ol is sourced from PubChem (CID 131060270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).