2-(bromomethyl)-4-methoxythiophene

C6H7BrOS — CID 103027312

IUPAC2-(bromomethyl)-4-methoxythiophene
SMILESCOc1csc(CBr)c1
InChIInChI=1S/C6H7BrOS/c1-8-5-2-6(3-7)9-4-5/h2,4H,3H2,1H3
InChIKeyWEFPIGKSQAGNTP-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.65
Rot. Bonds2

About 2-(bromomethyl)-4-methoxythiophene

2-(bromomethyl)-4-methoxythiophene (PubChem CID 103027312) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methoxythiophene.

Molecular Properties

Compound Name2-(bromomethyl)-4-methoxythiophene
PubChem CID103027312
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name2-(bromomethyl)-4-methoxythiophene
SMILESCOc1csc(CBr)c1
InChIInChI=1S/C6H7BrOS/c1-8-5-2-6(3-7)9-4-5/h2,4H,3H2,1H3
InChIKeyWEFPIGKSQAGNTP-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-methoxythiophene?
The IUPAC name of 2-(bromomethyl)-4-methoxythiophene (CID 103027312) is 2-(bromomethyl)-4-methoxythiophene.
What is the SMILES notation for 2-(bromomethyl)-4-methoxythiophene?
The canonical SMILES for 2-(bromomethyl)-4-methoxythiophene is COc1csc(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-4-methoxythiophene?
The InChIKey is WEFPIGKSQAGNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c1-8-5-2-6(3-7)9-4-5/h2,4H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-4-methoxythiophene?
2-(bromomethyl)-4-methoxythiophene has a molecular weight of 207.09 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methoxythiophene is sourced from PubChem (CID 103027312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).