4-bromo-2-(ethoxymethyl)thiophene

C7H9BrOS — CID 59332803

IUPAC4-bromo-2-(ethoxymethyl)thiophene
SMILESCCOCc1cc(Br)cs1
InChIInChI=1S/C7H9BrOS/c1-2-9-4-7-3-6(8)5-10-7/h3,5H,2,4H2,1H3
InChIKeyYUWSQIHDUSSKRN-UHFFFAOYSA-N
MW221.12 g/mol
LogP3.05
Rot. Bonds3

About 4-bromo-2-(ethoxymethyl)thiophene

4-bromo-2-(ethoxymethyl)thiophene (PubChem CID 59332803) has the molecular formula C7H9BrOS and a molecular weight of 221.12 g/mol. Its IUPAC name is 4-bromo-2-(ethoxymethyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(ethoxymethyl)thiophene
PubChem CID59332803
Molecular FormulaC7H9BrOS
Molecular Weight221.12 g/mol
Exact Mass219.96
IUPAC Name4-bromo-2-(ethoxymethyl)thiophene
SMILESCCOCc1cc(Br)cs1
InChIInChI=1S/C7H9BrOS/c1-2-9-4-7-3-6(8)5-10-7/h3,5H,2,4H2,1H3
InChIKeyYUWSQIHDUSSKRN-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(ethoxymethyl)thiophene?
The IUPAC name of 4-bromo-2-(ethoxymethyl)thiophene (CID 59332803) is 4-bromo-2-(ethoxymethyl)thiophene.
What is the SMILES notation for 4-bromo-2-(ethoxymethyl)thiophene?
The canonical SMILES for 4-bromo-2-(ethoxymethyl)thiophene is CCOCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-(ethoxymethyl)thiophene?
The InChIKey is YUWSQIHDUSSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrOS/c1-2-9-4-7-3-6(8)5-10-7/h3,5H,2,4H2,1H3.
What are the key properties of 4-bromo-2-(ethoxymethyl)thiophene?
4-bromo-2-(ethoxymethyl)thiophene has a molecular weight of 221.12 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(ethoxymethyl)thiophene is sourced from PubChem (CID 59332803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).