4-thiophen-2-ylbutan-2-ol

C8H12OS — CID 19777365

IUPAC4-thiophen-2-ylbutan-2-ol
SMILESCC(O)CCc1cccs1
InChIInChI=1S/C8H12OS/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyZMTQZWKVBHHYTN-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.06
Rot. Bonds3

About 4-thiophen-2-ylbutan-2-ol

4-thiophen-2-ylbutan-2-ol (PubChem CID 19777365) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-thiophen-2-ylbutan-2-ol
PubChem CID19777365
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name4-thiophen-2-ylbutan-2-ol
SMILESCC(O)CCc1cccs1
InChIInChI=1S/C8H12OS/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyZMTQZWKVBHHYTN-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4-thiophen-2-ylbutan-2-ol (CID 19777365) is 4-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4-thiophen-2-ylbutan-2-ol is CC(O)CCc1cccs1.
What is the InChIKey of 4-thiophen-2-ylbutan-2-ol?
The InChIKey is ZMTQZWKVBHHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 4-thiophen-2-ylbutan-2-ol?
4-thiophen-2-ylbutan-2-ol has a molecular weight of 156.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 19777365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).