2-thiophen-2-ylbutan-2-ol

C8H12OS — CID 11030069

IUPAC2-thiophen-2-ylbutan-2-ol
SMILESCCC(C)(O)c1cccs1
InChIInChI=1S/C8H12OS/c1-3-8(2,9)7-5-4-6-10-7/h4-6,9H,3H2,1-2H3
InChIKeyZPUDREYCRJQOQT-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.37
Rot. Bonds2

About 2-thiophen-2-ylbutan-2-ol

2-thiophen-2-ylbutan-2-ol (PubChem CID 11030069) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name2-thiophen-2-ylbutan-2-ol
PubChem CID11030069
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-thiophen-2-ylbutan-2-ol
SMILESCCC(C)(O)c1cccs1
InChIInChI=1S/C8H12OS/c1-3-8(2,9)7-5-4-6-10-7/h4-6,9H,3H2,1-2H3
InChIKeyZPUDREYCRJQOQT-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylbutan-2-ol?
The IUPAC name of 2-thiophen-2-ylbutan-2-ol (CID 11030069) is 2-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 2-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 2-thiophen-2-ylbutan-2-ol is CCC(C)(O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylbutan-2-ol?
The InChIKey is ZPUDREYCRJQOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-3-8(2,9)7-5-4-6-10-7/h4-6,9H,3H2,1-2H3.
What are the key properties of 2-thiophen-2-ylbutan-2-ol?
2-thiophen-2-ylbutan-2-ol has a molecular weight of 156.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 11030069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).