3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene

C11H17BrO2S — CID 106448565

IUPAC3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene
SMILESCC(C)COCCOCc1sccc1Br
InChIInChI=1S/C11H17BrO2S/c1-9(2)7-13-4-5-14-8-11-10(12)3-6-15-11/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyZNUZFXFAEVMZAE-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.70
Rot. Bonds7

About 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene

3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene (PubChem CID 106448565) has the molecular formula C11H17BrO2S and a molecular weight of 293.23 g/mol. Its IUPAC name is 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene
PubChem CID106448565
Molecular FormulaC11H17BrO2S
Molecular Weight293.23 g/mol
Exact Mass292.01
IUPAC Name3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene
SMILESCC(C)COCCOCc1sccc1Br
InChIInChI=1S/C11H17BrO2S/c1-9(2)7-13-4-5-14-8-11-10(12)3-6-15-11/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyZNUZFXFAEVMZAE-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene?
The IUPAC name of 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene (CID 106448565) is 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene.
What is the SMILES notation for 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene?
The canonical SMILES for 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene is CC(C)COCCOCc1sccc1Br.
What is the InChIKey of 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene?
The InChIKey is ZNUZFXFAEVMZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2S/c1-9(2)7-13-4-5-14-8-11-10(12)3-6-15-11/h3,6,9H,4-5,7-8H2,1-2H3.
What are the key properties of 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene?
3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene has a molecular weight of 293.23 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-(2-methylpropoxy)ethoxymethyl]thiophene is sourced from PubChem (CID 106448565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).