2-(4-bromothiophen-3-yl)butan-2-ol

C8H11BrOS — CID 79596567

IUPAC2-(4-bromothiophen-3-yl)butan-2-ol
SMILESCCC(C)(O)c1cscc1Br
InChIInChI=1S/C8H11BrOS/c1-3-8(2,10)6-4-11-5-7(6)9/h4-5,10H,3H2,1-2H3
InChIKeyZVOJIWFNEPGECW-UHFFFAOYSA-N
MW235.15 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-bromothiophen-3-yl)butan-2-ol

2-(4-bromothiophen-3-yl)butan-2-ol (PubChem CID 79596567) has the molecular formula C8H11BrOS and a molecular weight of 235.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)butan-2-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)butan-2-ol
PubChem CID79596567
Molecular FormulaC8H11BrOS
Molecular Weight235.15 g/mol
Exact Mass233.97
IUPAC Name2-(4-bromothiophen-3-yl)butan-2-ol
SMILESCCC(C)(O)c1cscc1Br
InChIInChI=1S/C8H11BrOS/c1-3-8(2,10)6-4-11-5-7(6)9/h4-5,10H,3H2,1-2H3
InChIKeyZVOJIWFNEPGECW-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)butan-2-ol?
The IUPAC name of 2-(4-bromothiophen-3-yl)butan-2-ol (CID 79596567) is 2-(4-bromothiophen-3-yl)butan-2-ol.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)butan-2-ol?
The canonical SMILES for 2-(4-bromothiophen-3-yl)butan-2-ol is CCC(C)(O)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)butan-2-ol?
The InChIKey is ZVOJIWFNEPGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrOS/c1-3-8(2,10)6-4-11-5-7(6)9/h4-5,10H,3H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-3-yl)butan-2-ol?
2-(4-bromothiophen-3-yl)butan-2-ol has a molecular weight of 235.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)butan-2-ol is sourced from PubChem (CID 79596567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).