2-(4-bromothiophen-2-yl)ethanol

C6H7BrOS — CID 63968611

IUPAC2-(4-bromothiophen-2-yl)ethanol
SMILESOCCc1cc(Br)cs1
InChIInChI=1S/C6H7BrOS/c7-5-3-6(1-2-8)9-4-5/h3-4,8H,1-2H2
InChIKeyGPAIEIFXXXKXEH-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.05
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)ethanol

2-(4-bromothiophen-2-yl)ethanol (PubChem CID 63968611) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)ethanol
PubChem CID63968611
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name2-(4-bromothiophen-2-yl)ethanol
SMILESOCCc1cc(Br)cs1
InChIInChI=1S/C6H7BrOS/c7-5-3-6(1-2-8)9-4-5/h3-4,8H,1-2H2
InChIKeyGPAIEIFXXXKXEH-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)ethanol (CID 63968611) is 2-(4-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)ethanol is OCCc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)ethanol?
The InChIKey is GPAIEIFXXXKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c7-5-3-6(1-2-8)9-4-5/h3-4,8H,1-2H2.
What are the key properties of 2-(4-bromothiophen-2-yl)ethanol?
2-(4-bromothiophen-2-yl)ethanol has a molecular weight of 207.09 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 63968611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).