3-bromo-2-(2-methoxyethenyl)thiophene

C7H7BrOS — CID 59419579

IUPAC3-bromo-2-(2-methoxyethenyl)thiophene
SMILESCOC=Cc1sccc1Br
InChIInChI=1S/C7H7BrOS/c1-9-4-2-7-6(8)3-5-10-7/h2-5H,1H3
InChIKeyHPBAVWDJGDCFJO-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.13
Rot. Bonds2

About 3-bromo-2-(2-methoxyethenyl)thiophene

3-bromo-2-(2-methoxyethenyl)thiophene (PubChem CID 59419579) has the molecular formula C7H7BrOS and a molecular weight of 219.10 g/mol. Its IUPAC name is 3-bromo-2-(2-methoxyethenyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(2-methoxyethenyl)thiophene
PubChem CID59419579
Molecular FormulaC7H7BrOS
Molecular Weight219.10 g/mol
Exact Mass217.94
IUPAC Name3-bromo-2-(2-methoxyethenyl)thiophene
SMILESCOC=Cc1sccc1Br
InChIInChI=1S/C7H7BrOS/c1-9-4-2-7-6(8)3-5-10-7/h2-5H,1H3
InChIKeyHPBAVWDJGDCFJO-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-methoxyethenyl)thiophene?
The IUPAC name of 3-bromo-2-(2-methoxyethenyl)thiophene (CID 59419579) is 3-bromo-2-(2-methoxyethenyl)thiophene.
What is the SMILES notation for 3-bromo-2-(2-methoxyethenyl)thiophene?
The canonical SMILES for 3-bromo-2-(2-methoxyethenyl)thiophene is COC=Cc1sccc1Br.
What is the InChIKey of 3-bromo-2-(2-methoxyethenyl)thiophene?
The InChIKey is HPBAVWDJGDCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrOS/c1-9-4-2-7-6(8)3-5-10-7/h2-5H,1H3.
What are the key properties of 3-bromo-2-(2-methoxyethenyl)thiophene?
3-bromo-2-(2-methoxyethenyl)thiophene has a molecular weight of 219.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-methoxyethenyl)thiophene is sourced from PubChem (CID 59419579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).