2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene

C10H15BrO3S — CID 54043867

IUPAC2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene
SMILESCOCCOCOCCc1ccsc1Br
InChIInChI=1S/C10H15BrO3S/c1-12-5-6-14-8-13-4-2-9-3-7-15-10(9)11/h3,7H,2,4-6,8H2,1H3
InChIKeyLOFCXDZSFVPECS-UHFFFAOYSA-N
MW295.20 g/mol
LogP2.69
Rot. Bonds8

About 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene

2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene (PubChem CID 54043867) has the molecular formula C10H15BrO3S and a molecular weight of 295.20 g/mol. Its IUPAC name is 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene
PubChem CID54043867
Molecular FormulaC10H15BrO3S
Molecular Weight295.20 g/mol
Exact Mass293.99
IUPAC Name2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene
SMILESCOCCOCOCCc1ccsc1Br
InChIInChI=1S/C10H15BrO3S/c1-12-5-6-14-8-13-4-2-9-3-7-15-10(9)11/h3,7H,2,4-6,8H2,1H3
InChIKeyLOFCXDZSFVPECS-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene?
The IUPAC name of 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene (CID 54043867) is 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene.
What is the SMILES notation for 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene?
The canonical SMILES for 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene is COCCOCOCCc1ccsc1Br.
What is the InChIKey of 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene?
The InChIKey is LOFCXDZSFVPECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO3S/c1-12-5-6-14-8-13-4-2-9-3-7-15-10(9)11/h3,7H,2,4-6,8H2,1H3.
What are the key properties of 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene?
2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene has a molecular weight of 295.20 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene is sourced from PubChem (CID 54043867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).