2-bromo-1-thiophen-2-ylethanol

C6H7BrOS — CID 22324999

IUPAC2-bromo-1-thiophen-2-ylethanol
SMILESOC(CBr)c1cccs1
InChIInChI=1S/C6H7BrOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2
InChIKeyQUVDAWIQZAZLSH-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.18
Rot. Bonds2

About 2-bromo-1-thiophen-2-ylethanol

2-bromo-1-thiophen-2-ylethanol (PubChem CID 22324999) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is 2-bromo-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-bromo-1-thiophen-2-ylethanol
PubChem CID22324999
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name2-bromo-1-thiophen-2-ylethanol
SMILESOC(CBr)c1cccs1
InChIInChI=1S/C6H7BrOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2
InChIKeyQUVDAWIQZAZLSH-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2-(2-bromophenyl)-1-thiophen-2-ylethanol
CID 60798008
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
(1R)-2-nitro-1-thiophen-2-ylethanol
CID 687342
2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol
CID 164652208
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propane-1,3-diol
CID 65314705

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-thiophen-2-ylethanol?
The IUPAC name of 2-bromo-1-thiophen-2-ylethanol (CID 22324999) is 2-bromo-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-bromo-1-thiophen-2-ylethanol?
The canonical SMILES for 2-bromo-1-thiophen-2-ylethanol is OC(CBr)c1cccs1.
What is the InChIKey of 2-bromo-1-thiophen-2-ylethanol?
The InChIKey is QUVDAWIQZAZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2.
What are the key properties of 2-bromo-1-thiophen-2-ylethanol?
2-bromo-1-thiophen-2-ylethanol has a molecular weight of 207.09 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-thiophen-2-ylethanol is sourced from PubChem (CID 22324999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).