4-thiophen-2-ylbut-1-yn-1-ol

C8H8OS — CID 67361922

IUPAC4-thiophen-2-ylbut-1-yn-1-ol
SMILESOC#CCCc1cccs1
InChIInChI=1S/C8H8OS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7,9H,1,4H2
InChIKeyTXLFGOQGSHCROV-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.01
Rot. Bonds2

About 4-thiophen-2-ylbut-1-yn-1-ol

4-thiophen-2-ylbut-1-yn-1-ol (PubChem CID 67361922) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-thiophen-2-ylbut-1-yn-1-ol.

Molecular Properties

Compound Name4-thiophen-2-ylbut-1-yn-1-ol
PubChem CID67361922
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name4-thiophen-2-ylbut-1-yn-1-ol
SMILESOC#CCCc1cccs1
InChIInChI=1S/C8H8OS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7,9H,1,4H2
InChIKeyTXLFGOQGSHCROV-UHFFFAOYSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-thiophen-2-ylbut-2-ynyl)thiophene
CID 102075129
3-thiophen-2-ylpropan-1-ol
CID 13109866
CID 59269201
CID 59269201
potassium trifluoro(2-thiophen-2-ylethyl)boranuide
CID 63774872
10-thiophen-2-yldecan-1-ol
CID 22992199
N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
CID 104806086
thiophen-2-ylmethylphosphane;hydroiodide
CID 174619498
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636
pentane;2-thiophen-2-ylethanol
CID 70273807
2-thiophen-2-ylethoxysilane
CID 154346669
2-(4-fluorobutyl)thiophene
CID 67851736

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbut-1-yn-1-ol?
The IUPAC name of 4-thiophen-2-ylbut-1-yn-1-ol (CID 67361922) is 4-thiophen-2-ylbut-1-yn-1-ol.
What is the SMILES notation for 4-thiophen-2-ylbut-1-yn-1-ol?
The canonical SMILES for 4-thiophen-2-ylbut-1-yn-1-ol is OC#CCCc1cccs1.
What is the InChIKey of 4-thiophen-2-ylbut-1-yn-1-ol?
The InChIKey is TXLFGOQGSHCROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7,9H,1,4H2.
What are the key properties of 4-thiophen-2-ylbut-1-yn-1-ol?
4-thiophen-2-ylbut-1-yn-1-ol has a molecular weight of 152.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbut-1-yn-1-ol is sourced from PubChem (CID 67361922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).