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

C8H8OS — CID 10931628

IUPAC1-thiophen-2-ylbut-2-yn-1-ol
SMILESCC#CC(O)c1cccs1
InChIInChI=1S/C8H8OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7,9H,1H3
InChIKeyUQSKPCPXMSGVGS-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.80
Rot. Bonds1

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

1-thiophen-2-ylbut-2-yn-1-ol (PubChem CID 10931628) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 1-thiophen-2-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name1-thiophen-2-ylbut-2-yn-1-ol
PubChem CID10931628
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name1-thiophen-2-ylbut-2-yn-1-ol
SMILESCC#CC(O)c1cccs1
InChIInChI=1S/C8H8OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7,9H,1H3
InChIKeyUQSKPCPXMSGVGS-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-thiophen-2-ylbut-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
CID 872569
(1R,4S)-4-cyclopropyl-1-thiophen-2-ylpent-2-yne-1,4-diol
CID 751183
(1S,4R)-4-cyclopropyl-1-thiophen-2-ylpent-2-yne-1,4-diol
CID 751182
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
1-(3-hydroxy-3-thiophen-2-ylprop-1-ynyl)cyclohexan-1-ol
CID 2898837
2-propan-2-ylthiophene
CID 178128598
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylbut-2-yn-1-ol?
The IUPAC name of 1-thiophen-2-ylbut-2-yn-1-ol (CID 10931628) is 1-thiophen-2-ylbut-2-yn-1-ol.
What is the SMILES notation for 1-thiophen-2-ylbut-2-yn-1-ol?
The canonical SMILES for 1-thiophen-2-ylbut-2-yn-1-ol is CC#CC(O)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylbut-2-yn-1-ol?
The InChIKey is UQSKPCPXMSGVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7,9H,1H3.
What are the key properties of 1-thiophen-2-ylbut-2-yn-1-ol?
1-thiophen-2-ylbut-2-yn-1-ol has a molecular weight of 152.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylbut-2-yn-1-ol is sourced from PubChem (CID 10931628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).