2-bromo-3-(2-methoxyethoxymethyl)thiophene

C8H11BrO2S — CID 165349893

IUPAC2-bromo-3-(2-methoxyethoxymethyl)thiophene
SMILESCOCCOCc1ccsc1Br
InChIInChI=1S/C8H11BrO2S/c1-10-3-4-11-6-7-2-5-12-8(7)9/h2,5H,3-4,6H2,1H3
InChIKeyXXVFATIVFQKMPP-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.67
Rot. Bonds5

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

2-bromo-3-(2-methoxyethoxymethyl)thiophene (PubChem CID 165349893) has the molecular formula C8H11BrO2S and a molecular weight of 251.14 g/mol. Its IUPAC name is 2-bromo-3-(2-methoxyethoxymethyl)thiophene.

Molecular Properties

Compound Name2-bromo-3-(2-methoxyethoxymethyl)thiophene
PubChem CID165349893
Molecular FormulaC8H11BrO2S
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name2-bromo-3-(2-methoxyethoxymethyl)thiophene
SMILESCOCCOCc1ccsc1Br
InChIInChI=1S/C8H11BrO2S/c1-10-3-4-11-6-7-2-5-12-8(7)9/h2,5H,3-4,6H2,1H3
InChIKeyXXVFATIVFQKMPP-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene
CID 54043867
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-bromo-5-[3-hexadecyl-5-[5-[5-[3-hexadecyl-5-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]thiophen-2-yl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophen-2-yl]thiophen-2-yl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]thiophene
CID 102263647
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
2-(2-methoxyethoxymethyl)phenol
CID 21397612
3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
CID 63641034
1-(3-bromothiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403696
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene
CID 162368553
2-bromo-3-dodecylthiophene
CID 10426816

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-methoxyethoxymethyl)thiophene?
The IUPAC name of 2-bromo-3-(2-methoxyethoxymethyl)thiophene (CID 165349893) is 2-bromo-3-(2-methoxyethoxymethyl)thiophene.
What is the SMILES notation for 2-bromo-3-(2-methoxyethoxymethyl)thiophene?
The canonical SMILES for 2-bromo-3-(2-methoxyethoxymethyl)thiophene is COCCOCc1ccsc1Br.
What is the InChIKey of 2-bromo-3-(2-methoxyethoxymethyl)thiophene?
The InChIKey is XXVFATIVFQKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2S/c1-10-3-4-11-6-7-2-5-12-8(7)9/h2,5H,3-4,6H2,1H3.
What are the key properties of 2-bromo-3-(2-methoxyethoxymethyl)thiophene?
2-bromo-3-(2-methoxyethoxymethyl)thiophene has a molecular weight of 251.14 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-methoxyethoxymethyl)thiophene is sourced from PubChem (CID 165349893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).