5-ethoxy-3-fluoro-1-benzothiophen-2-ol

C10H9FO2S — CID 130956912

IUPAC5-ethoxy-3-fluoro-1-benzothiophen-2-ol
SMILESCCOc1ccc2sc(O)c(F)c2c1
InChIInChI=1S/C10H9FO2S/c1-2-13-6-3-4-8-7(5-6)9(11)10(12)14-8/h3-5,12H,2H2,1H3
InChIKeyRPGGXQJHYWEUOB-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.14
Rot. Bonds2

About 5-ethoxy-3-fluoro-1-benzothiophen-2-ol

5-ethoxy-3-fluoro-1-benzothiophen-2-ol (PubChem CID 130956912) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-ethoxy-3-fluoro-1-benzothiophen-2-ol.

Molecular Properties

Compound Name5-ethoxy-3-fluoro-1-benzothiophen-2-ol
PubChem CID130956912
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name5-ethoxy-3-fluoro-1-benzothiophen-2-ol
SMILESCCOc1ccc2sc(O)c(F)c2c1
InChIInChI=1S/C10H9FO2S/c1-2-13-6-3-4-8-7(5-6)9(11)10(12)14-8/h3-5,12H,2H2,1H3
InChIKeyRPGGXQJHYWEUOB-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

2-ethoxy-8-methoxydibenzothiophene
CID 172565133
2-ethoxydibenzothiophene
CID 102527162
2-ethoxythioxanthen-9-one
CID 14150410
5-ethoxy-2-(nonyliminomethyl)-1-benzothiophen-3-ol
CID 3687817
2-(N-butyl-C-methylcarbonimidoyl)-5-ethoxy-1-benzothiophen-3-ol
CID 5113465
2-(cyclohexyliminomethyl)-5-ethoxy-1-benzothiophen-3-ol
CID 741938
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
2-[(3,4-dichlorophenyl)methyliminomethyl]-5-ethoxy-1-benzothiophen-3-ol
CID 135619835
2,8-dipentoxydibenzothiophene
CID 141427401
2-bromo-6-ethoxy-1-benzothiophene-3-thiol
CID 131075867
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
5-butoxy-3-chloro-1-benzothiophene-2-carboxylic acid
CID 84750761

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-fluoro-1-benzothiophen-2-ol?
The IUPAC name of 5-ethoxy-3-fluoro-1-benzothiophen-2-ol (CID 130956912) is 5-ethoxy-3-fluoro-1-benzothiophen-2-ol.
What is the SMILES notation for 5-ethoxy-3-fluoro-1-benzothiophen-2-ol?
The canonical SMILES for 5-ethoxy-3-fluoro-1-benzothiophen-2-ol is CCOc1ccc2sc(O)c(F)c2c1.
What is the InChIKey of 5-ethoxy-3-fluoro-1-benzothiophen-2-ol?
The InChIKey is RPGGXQJHYWEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-2-13-6-3-4-8-7(5-6)9(11)10(12)14-8/h3-5,12H,2H2,1H3.
What are the key properties of 5-ethoxy-3-fluoro-1-benzothiophen-2-ol?
5-ethoxy-3-fluoro-1-benzothiophen-2-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 5-ethoxy-3-fluoro-1-benzothiophen-2-ol is sourced from PubChem (CID 130956912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).