2-thiophen-2-ylpent-4-yn-2-ol

C9H10OS — CID 22404511

IUPAC2-thiophen-2-ylpent-4-yn-2-ol
SMILESC#CCC(C)(O)c1cccs1
InChIInChI=1S/C9H10OS/c1-3-6-9(2,10)8-5-4-7-11-8/h1,4-5,7,10H,6H2,2H3
InChIKeyFRDXQRCETRRHQG-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.98
Rot. Bonds2

About 2-thiophen-2-ylpent-4-yn-2-ol

2-thiophen-2-ylpent-4-yn-2-ol (PubChem CID 22404511) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-thiophen-2-ylpent-4-yn-2-ol.

Molecular Properties

Compound Name2-thiophen-2-ylpent-4-yn-2-ol
PubChem CID22404511
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name2-thiophen-2-ylpent-4-yn-2-ol
SMILESC#CCC(C)(O)c1cccs1
InChIInChI=1S/C9H10OS/c1-3-6-9(2,10)8-5-4-7-11-8/h1,4-5,7,10H,6H2,2H3
InChIKeyFRDXQRCETRRHQG-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpent-4-yn-2-ol?
The IUPAC name of 2-thiophen-2-ylpent-4-yn-2-ol (CID 22404511) is 2-thiophen-2-ylpent-4-yn-2-ol.
What is the SMILES notation for 2-thiophen-2-ylpent-4-yn-2-ol?
The canonical SMILES for 2-thiophen-2-ylpent-4-yn-2-ol is C#CCC(C)(O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylpent-4-yn-2-ol?
The InChIKey is FRDXQRCETRRHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-3-6-9(2,10)8-5-4-7-11-8/h1,4-5,7,10H,6H2,2H3.
What are the key properties of 2-thiophen-2-ylpent-4-yn-2-ol?
2-thiophen-2-ylpent-4-yn-2-ol has a molecular weight of 166.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpent-4-yn-2-ol is sourced from PubChem (CID 22404511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).