2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol

C8H11BrO2S — CID 67252065

IUPAC2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol
SMILESOCCOCCc1csc(Br)c1
InChIInChI=1S/C8H11BrO2S/c9-8-5-7(6-12-8)1-3-11-4-2-10/h5-6,10H,1-4H2
InChIKeyLWSHINAYDZFWDB-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol

2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol (PubChem CID 67252065) has the molecular formula C8H11BrO2S and a molecular weight of 251.14 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol
PubChem CID67252065
Molecular FormulaC8H11BrO2S
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol
SMILESOCCOCCc1csc(Br)c1
InChIInChI=1S/C8H11BrO2S/c9-8-5-7(6-12-8)1-3-11-4-2-10/h5-6,10H,1-4H2
InChIKeyLWSHINAYDZFWDB-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 114263702
5-[2-[5-(trifluoromethyl)thiophen-3-yl]ethoxy]pentan-1-ol
CID 167024336
(5-bromothiophen-3-yl)methanamine
CID 23533436
2-bromo-4-(butoxymethyl)thiophene
CID 123709365
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
2-(5-bromothiophen-3-yl)acetaldehyde
CID 87296184
2-[(5-bromothiophen-3-yl)methyl]guanidine
CID 131014895
(5-bromothiophen-3-yl)methanesulfonamide
CID 165443505
N-[2-(5-bromothiophen-3-yl)ethyl]benzamide
CID 67335982
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
CID 159345993
CID 159345993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol (CID 67252065) is 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol is OCCOCCc1csc(Br)c1.
What is the InChIKey of 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol?
The InChIKey is LWSHINAYDZFWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2S/c9-8-5-7(6-12-8)1-3-11-4-2-10/h5-6,10H,1-4H2.
What are the key properties of 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol?
2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol has a molecular weight of 251.14 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-3-yl)ethoxy]ethanol is sourced from PubChem (CID 67252065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).