3-ethoxy-4-fluoro-5-methyl-1-benzothiophene

C11H11FOS — CID 130951877

IUPAC3-ethoxy-4-fluoro-5-methyl-1-benzothiophene
SMILESCCOc1csc2ccc(C)c(F)c12
InChIInChI=1S/C11H11FOS/c1-3-13-8-6-14-9-5-4-7(2)11(12)10(8)9/h4-6H,3H2,1-2H3
InChIKeyYLNMQCZSLGVOHD-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.75
Rot. Bonds2

About 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene

3-ethoxy-4-fluoro-5-methyl-1-benzothiophene (PubChem CID 130951877) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-5-methyl-1-benzothiophene
PubChem CID130951877
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name3-ethoxy-4-fluoro-5-methyl-1-benzothiophene
SMILESCCOc1csc2ccc(C)c(F)c12
InChIInChI=1S/C11H11FOS/c1-3-13-8-6-14-9-5-4-7(2)11(12)10(8)9/h4-6H,3H2,1-2H3
InChIKeyYLNMQCZSLGVOHD-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-5-methyl-1-benzothiophene-4-thiol
CID 130970957
5-ethoxy-3-fluoro-1-benzothiophene-4-thiol
CID 130792743
4-bromo-3-ethoxy-6-methyl-1-benzothiophene
CID 131138210
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
5-chloro-3-ethoxy-1-benzothiophene
CID 119095235
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666
4-ethoxy-3-fluoro-1-benzothiophene-2-thiol
CID 130792742
4-ethoxy-3-fluoro-1-benzothiophen-6-ol
CID 130870634
3-bromo-4,5-dimethyl-1-benzothiophene
CID 82387657
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
4-ethoxy-3-methyl-1-benzothiophene-7-thiol
CID 130840116
3-ethyl-4-fluoro-1-benzothiophen-5-amine
CID 130956296

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene?
The IUPAC name of 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene (CID 130951877) is 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene.
What is the SMILES notation for 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene?
The canonical SMILES for 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene is CCOc1csc2ccc(C)c(F)c12.
What is the InChIKey of 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene?
The InChIKey is YLNMQCZSLGVOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-3-13-8-6-14-9-5-4-7(2)11(12)10(8)9/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene?
3-ethoxy-4-fluoro-5-methyl-1-benzothiophene has a molecular weight of 210.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-5-methyl-1-benzothiophene is sourced from PubChem (CID 130951877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).