3-bromo-2-ethyl-4-methoxythiophene

C7H9BrOS — CID 141331158

IUPAC3-bromo-2-ethyl-4-methoxythiophene
SMILESCCc1scc(OC)c1Br
InChIInChI=1S/C7H9BrOS/c1-3-6-7(8)5(9-2)4-10-6/h4H,3H2,1-2H3
InChIKeyDJVCEKHJHWDNCG-UHFFFAOYSA-N
MW221.12 g/mol
LogP3.08
Rot. Bonds2

About 3-bromo-2-ethyl-4-methoxythiophene

3-bromo-2-ethyl-4-methoxythiophene (PubChem CID 141331158) has the molecular formula C7H9BrOS and a molecular weight of 221.12 g/mol. Its IUPAC name is 3-bromo-2-ethyl-4-methoxythiophene.

Molecular Properties

Compound Name3-bromo-2-ethyl-4-methoxythiophene
PubChem CID141331158
Molecular FormulaC7H9BrOS
Molecular Weight221.12 g/mol
Exact Mass219.96
IUPAC Name3-bromo-2-ethyl-4-methoxythiophene
SMILESCCc1scc(OC)c1Br
InChIInChI=1S/C7H9BrOS/c1-3-6-7(8)5(9-2)4-10-6/h4H,3H2,1-2H3
InChIKeyDJVCEKHJHWDNCG-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-4-methoxythiophene?
The IUPAC name of 3-bromo-2-ethyl-4-methoxythiophene (CID 141331158) is 3-bromo-2-ethyl-4-methoxythiophene.
What is the SMILES notation for 3-bromo-2-ethyl-4-methoxythiophene?
The canonical SMILES for 3-bromo-2-ethyl-4-methoxythiophene is CCc1scc(OC)c1Br.
What is the InChIKey of 3-bromo-2-ethyl-4-methoxythiophene?
The InChIKey is DJVCEKHJHWDNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrOS/c1-3-6-7(8)5(9-2)4-10-6/h4H,3H2,1-2H3.
What are the key properties of 3-bromo-2-ethyl-4-methoxythiophene?
3-bromo-2-ethyl-4-methoxythiophene has a molecular weight of 221.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-4-methoxythiophene is sourced from PubChem (CID 141331158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).