5-bromo-3-tert-butyl-2-methoxythiophene

C9H13BrOS — CID 153449523

IUPAC5-bromo-3-tert-butyl-2-methoxythiophene
SMILESCOc1sc(Br)cc1C(C)(C)C
InChIInChI=1S/C9H13BrOS/c1-9(2,3)6-5-7(10)12-8(6)11-4/h5H,1-4H3
InChIKeyQBMRKIHOYHKUGO-UHFFFAOYSA-N
MW249.17 g/mol
LogP3.82
Rot. Bonds1

About 5-bromo-3-tert-butyl-2-methoxythiophene

5-bromo-3-tert-butyl-2-methoxythiophene (PubChem CID 153449523) has the molecular formula C9H13BrOS and a molecular weight of 249.17 g/mol. Its IUPAC name is 5-bromo-3-tert-butyl-2-methoxythiophene.

Molecular Properties

Compound Name5-bromo-3-tert-butyl-2-methoxythiophene
PubChem CID153449523
Molecular FormulaC9H13BrOS
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name5-bromo-3-tert-butyl-2-methoxythiophene
SMILESCOc1sc(Br)cc1C(C)(C)C
InChIInChI=1S/C9H13BrOS/c1-9(2,3)6-5-7(10)12-8(6)11-4/h5H,1-4H3
InChIKeyQBMRKIHOYHKUGO-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-tert-butyl-2-methoxythiophene?
The IUPAC name of 5-bromo-3-tert-butyl-2-methoxythiophene (CID 153449523) is 5-bromo-3-tert-butyl-2-methoxythiophene.
What is the SMILES notation for 5-bromo-3-tert-butyl-2-methoxythiophene?
The canonical SMILES for 5-bromo-3-tert-butyl-2-methoxythiophene is COc1sc(Br)cc1C(C)(C)C.
What is the InChIKey of 5-bromo-3-tert-butyl-2-methoxythiophene?
The InChIKey is QBMRKIHOYHKUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS/c1-9(2,3)6-5-7(10)12-8(6)11-4/h5H,1-4H3.
What are the key properties of 5-bromo-3-tert-butyl-2-methoxythiophene?
5-bromo-3-tert-butyl-2-methoxythiophene has a molecular weight of 249.17 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-tert-butyl-2-methoxythiophene is sourced from PubChem (CID 153449523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).