4-ethoxy-3-fluoro-1-benzothiophen-6-ol

C10H9FO2S — CID 130870634

IUPAC4-ethoxy-3-fluoro-1-benzothiophen-6-ol
SMILESCCOc1cc(O)cc2scc(F)c12
InChIInChI=1S/C10H9FO2S/c1-2-13-8-3-6(12)4-9-10(8)7(11)5-14-9/h3-5,12H,2H2,1H3
InChIKeyUKCGVAHOHKPTRX-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.14
Rot. Bonds2

About 4-ethoxy-3-fluoro-1-benzothiophen-6-ol

4-ethoxy-3-fluoro-1-benzothiophen-6-ol (PubChem CID 130870634) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-1-benzothiophen-6-ol
PubChem CID130870634
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name4-ethoxy-3-fluoro-1-benzothiophen-6-ol
SMILESCCOc1cc(O)cc2scc(F)c12
InChIInChI=1S/C10H9FO2S/c1-2-13-8-3-6(12)4-9-10(8)7(11)5-14-9/h3-5,12H,2H2,1H3
InChIKeyUKCGVAHOHKPTRX-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

Analyze 4-ethoxy-3-fluoro-1-benzothiophen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-3-fluoro-4-iodo-1-benzothiophene
CID 131123992
5-ethoxy-3-fluoro-1-benzothiophene-4-thiol
CID 130792743
3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666
3,4,5-triethoxyphenol
CID 19754898
2-ethoxy-4,5-difluorophenol
CID 131306358
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
3-ethoxy-2-fluoro-5-hydroxybenzonitrile
CID 18444762
5-ethoxy-2,4-difluorophenol
CID 125116194
5-ethoxy-4-methylbenzene-1,3-diol
CID 130032613
3-ethoxy-4-fluoro-5-methyl-1-benzothiophene
CID 130951877
4-bromo-3-ethoxy-6-methyl-1-benzothiophene
CID 131138210

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-1-benzothiophen-6-ol?
The IUPAC name of 4-ethoxy-3-fluoro-1-benzothiophen-6-ol (CID 130870634) is 4-ethoxy-3-fluoro-1-benzothiophen-6-ol.
What is the SMILES notation for 4-ethoxy-3-fluoro-1-benzothiophen-6-ol?
The canonical SMILES for 4-ethoxy-3-fluoro-1-benzothiophen-6-ol is CCOc1cc(O)cc2scc(F)c12.
What is the InChIKey of 4-ethoxy-3-fluoro-1-benzothiophen-6-ol?
The InChIKey is UKCGVAHOHKPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-2-13-8-3-6(12)4-9-10(8)7(11)5-14-9/h3-5,12H,2H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-1-benzothiophen-6-ol?
4-ethoxy-3-fluoro-1-benzothiophen-6-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 4-ethoxy-3-fluoro-1-benzothiophen-6-ol is sourced from PubChem (CID 130870634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).