(E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol

C8H6OS — CID 134812251

IUPAC(E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol
SMILESO/C=C/C#Cc1cccs1
InChIInChI=1S/C8H6OS/c9-6-2-1-4-8-5-3-7-10-8/h2-3,5-7,9H/b6-2+
InChIKeyPFQBOWFIKSJEBT-QHHAFSJGSA-N
MW150.20 g/mol
LogP2.17
Rot. Bonds

About (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol

(E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol (PubChem CID 134812251) has the molecular formula C8H6OS and a molecular weight of 150.20 g/mol. Its IUPAC name is (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol.

Molecular Properties

Compound Name(E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol
PubChem CID134812251
Molecular FormulaC8H6OS
Molecular Weight150.20 g/mol
Exact Mass150.01
IUPAC Name(E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol
SMILESO/C=C/C#Cc1cccs1
InChIInChI=1S/C8H6OS/c9-6-2-1-4-8-5-3-7-10-8/h2-3,5-7,9H/b6-2+
InChIKeyPFQBOWFIKSJEBT-QHHAFSJGSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol?
The IUPAC name of (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol (CID 134812251) is (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol.
What is the SMILES notation for (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol?
The canonical SMILES for (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol is O/C=C/C#Cc1cccs1.
What is the InChIKey of (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol?
The InChIKey is PFQBOWFIKSJEBT-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H6OS/c9-6-2-1-4-8-5-3-7-10-8/h2-3,5-7,9H/b6-2+.
What are the key properties of (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol?
(E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol has a molecular weight of 150.20 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol is sourced from PubChem (CID 134812251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).