1-(4-bromothiophen-2-yl)-2-ethoxyethanol

C8H11BrO2S — CID 79567182

IUPAC1-(4-bromothiophen-2-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cc(Br)cs1
InChIInChI=1S/C8H11BrO2S/c1-2-11-4-7(10)8-3-6(9)5-12-8/h3,5,7,10H,2,4H2,1H3
InChIKeyBBRLRJOHJYZWSP-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.58
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-2-ethoxyethanol

1-(4-bromothiophen-2-yl)-2-ethoxyethanol (PubChem CID 79567182) has the molecular formula C8H11BrO2S and a molecular weight of 251.14 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-ethoxyethanol
PubChem CID79567182
Molecular FormulaC8H11BrO2S
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name1-(4-bromothiophen-2-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1cc(Br)cs1
InChIInChI=1S/C8H11BrO2S/c1-2-11-4-7(10)8-3-6(9)5-12-8/h3,5,7,10H,2,4H2,1H3
InChIKeyBBRLRJOHJYZWSP-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046798
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
4-bromo-2-pentan-3-ylthiophene
CID 82390181
[1-(4-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105222366
1-(4-bromothiophen-2-yl)-2-propoxyethanamine
CID 79575561
ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
CID 116914263
ethyl (3R)-3-amino-3-(4-bromothiophen-2-yl)-2-fluoropropanoate;hydrochloride
CID 171245711
N-[(4-bromothiophen-2-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271033
(2S)-2-(4-bromothiophen-2-yl)-2-(dimethylamino)-N-(3-ethoxypropyl)acetamide
CID 125419034
1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79752976
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-ethoxyethanol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-ethoxyethanol (CID 79567182) is 1-(4-bromothiophen-2-yl)-2-ethoxyethanol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-ethoxyethanol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-ethoxyethanol is CCOCC(O)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-ethoxyethanol?
The InChIKey is BBRLRJOHJYZWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2S/c1-2-11-4-7(10)8-3-6(9)5-12-8/h3,5,7,10H,2,4H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-ethoxyethanol?
1-(4-bromothiophen-2-yl)-2-ethoxyethanol has a molecular weight of 251.14 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-ethoxyethanol is sourced from PubChem (CID 79567182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).