1-(4-bromothiophen-3-yl)ethanol

C6H7BrOS — CID 79590109

IUPAC1-(4-bromothiophen-3-yl)ethanol
SMILESCC(O)c1cscc1Br
InChIInChI=1S/C6H7BrOS/c1-4(8)5-2-9-3-6(5)7/h2-4,8H,1H3
InChIKeyORNIGIKZGDWINE-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.56
Rot. Bonds1

About 1-(4-bromothiophen-3-yl)ethanol

1-(4-bromothiophen-3-yl)ethanol (PubChem CID 79590109) has the molecular formula C6H7BrOS and a molecular weight of 207.09 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)ethanol
PubChem CID79590109
Molecular FormulaC6H7BrOS
Molecular Weight207.09 g/mol
Exact Mass205.94
IUPAC Name1-(4-bromothiophen-3-yl)ethanol
SMILESCC(O)c1cscc1Br
InChIInChI=1S/C6H7BrOS/c1-4(8)5-2-9-3-6(5)7/h2-4,8H,1H3
InChIKeyORNIGIKZGDWINE-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromothiophen-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)ethanol?
The IUPAC name of 1-(4-bromothiophen-3-yl)ethanol (CID 79590109) is 1-(4-bromothiophen-3-yl)ethanol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)ethanol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)ethanol is CC(O)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)ethanol?
The InChIKey is ORNIGIKZGDWINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrOS/c1-4(8)5-2-9-3-6(5)7/h2-4,8H,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)ethanol?
1-(4-bromothiophen-3-yl)ethanol has a molecular weight of 207.09 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)ethanol is sourced from PubChem (CID 79590109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).