4-bromo-2-(methoxymethyl)thiophene

C6H7BrOS — CID 15018312

IUPAC4-bromo-2-(methoxymethyl)thiophene
SMILESCOCc1cc(Br)cs1
InChIInChI=1S/C6H7BrOS/c1-8-3-6-2-5(7)4-9-6/h2,4H,3H2,1H3
InChIKeyQAOVKNAMURILRG-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.66
Rot. Bonds2

About 4-bromo-2-(methoxymethyl)thiophene

4-bromo-2-(methoxymethyl)thiophene (PubChem CID 15018312) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(methoxymethyl)thiophene
PubChem CID15018312
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name4-bromo-2-(methoxymethyl)thiophene
SMILESCOCc1cc(Br)cs1
InChIInChI=1S/C6H7BrOS/c1-8-3-6-2-5(7)4-9-6/h2,4H,3H2,1H3
InChIKeyQAOVKNAMURILRG-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethyl)thiophene?
The IUPAC name of 4-bromo-2-(methoxymethyl)thiophene (CID 15018312) is 4-bromo-2-(methoxymethyl)thiophene.
What is the SMILES notation for 4-bromo-2-(methoxymethyl)thiophene?
The canonical SMILES for 4-bromo-2-(methoxymethyl)thiophene is COCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-(methoxymethyl)thiophene?
The InChIKey is QAOVKNAMURILRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c1-8-3-6-2-5(7)4-9-6/h2,4H,3H2,1H3.
What are the key properties of 4-bromo-2-(methoxymethyl)thiophene?
4-bromo-2-(methoxymethyl)thiophene has a molecular weight of 207.09 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methoxymethyl)thiophene is sourced from PubChem (CID 15018312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).