3-thiophen-2-ylbutan-1-ol

C8H12OS — CID 69457808

IUPAC3-thiophen-2-ylbutan-1-ol
SMILESCC(CCO)c1cccs1
InChIInChI=1S/C8H12OS/c1-7(4-5-9)8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyICFUJVLYPZYJFH-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.23
Rot. Bonds3

About 3-thiophen-2-ylbutan-1-ol

3-thiophen-2-ylbutan-1-ol (PubChem CID 69457808) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-thiophen-2-ylbutan-1-ol
PubChem CID69457808
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-thiophen-2-ylbutan-1-ol
SMILESCC(CCO)c1cccs1
InChIInChI=1S/C8H12OS/c1-7(4-5-9)8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3
InChIKeyICFUJVLYPZYJFH-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-thiophen-2-ylbutan-1-ol (CID 69457808) is 3-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-thiophen-2-ylbutan-1-ol is CC(CCO)c1cccs1.
What is the InChIKey of 3-thiophen-2-ylbutan-1-ol?
The InChIKey is ICFUJVLYPZYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-7(4-5-9)8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 3-thiophen-2-ylbutan-1-ol?
3-thiophen-2-ylbutan-1-ol has a molecular weight of 156.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 69457808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).