3-(2-bromoethoxy)-4-methylthiophene

C7H9BrOS — CID 22016338

IUPAC3-(2-bromoethoxy)-4-methylthiophene
SMILESCc1cscc1OCCBr
InChIInChI=1S/C7H9BrOS/c1-6-4-10-5-7(6)9-3-2-8/h4-5H,2-3H2,1H3
InChIKeyBDEQZKWUAZYJOJ-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.83
Rot. Bonds3

About 3-(2-bromoethoxy)-4-methylthiophene

3-(2-bromoethoxy)-4-methylthiophene (PubChem CID 22016338) has the molecular formula C7H9BrOS and a molecular weight of 221.12 g/mol. Its IUPAC name is 3-(2-bromoethoxy)-4-methylthiophene.

Molecular Properties

Compound Name3-(2-bromoethoxy)-4-methylthiophene
PubChem CID22016338
Molecular FormulaC7H9BrOS
Molecular Weight221.12 g/mol
Exact Mass219.96
IUPAC Name3-(2-bromoethoxy)-4-methylthiophene
SMILESCc1cscc1OCCBr
InChIInChI=1S/C7H9BrOS/c1-6-4-10-5-7(6)9-3-2-8/h4-5H,2-3H2,1H3
InChIKeyBDEQZKWUAZYJOJ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-decoxy-4-methylthiophene
CID 86002875
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylthiophene
CID 101062326
2-(4-methylthiophen-3-yl)oxyethanesulfonic acid
CID 10977033
cyclopenta-2,4-dien-1-yl-dimethyl-[2-(4-methylthiophen-3-yl)oxyethyl]azanium
CID 102353305
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
4-(2-bromoethoxy)-2,3,6-trimethylphenol
CID 10539183
3-(2-ethylhexoxy)-4-methylthiophene
CID 23049597
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
3,4-dihexoxythiophene;ethene
CID 175595567
2-[4-[2-[dimethyl(oxido)azaniumyl]ethoxy]thiophen-3-yl]oxy-N,N-dimethylethanamine oxide
CID 169052003
1-(2-bromoethoxy)-2-methyl-4-nitrobenzene
CID 102536841
4,9,19,28,32,34-hexakis(2-bromoethoxy)-14,24,26,30-tetramethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18,20,23(27),24,28,30,32-pentadecaene
CID 139205654

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethoxy)-4-methylthiophene?
The IUPAC name of 3-(2-bromoethoxy)-4-methylthiophene (CID 22016338) is 3-(2-bromoethoxy)-4-methylthiophene.
What is the SMILES notation for 3-(2-bromoethoxy)-4-methylthiophene?
The canonical SMILES for 3-(2-bromoethoxy)-4-methylthiophene is Cc1cscc1OCCBr.
What is the InChIKey of 3-(2-bromoethoxy)-4-methylthiophene?
The InChIKey is BDEQZKWUAZYJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrOS/c1-6-4-10-5-7(6)9-3-2-8/h4-5H,2-3H2,1H3.
What are the key properties of 3-(2-bromoethoxy)-4-methylthiophene?
3-(2-bromoethoxy)-4-methylthiophene has a molecular weight of 221.12 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)-4-methylthiophene is sourced from PubChem (CID 22016338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).