3-thiophen-2-ylprop-2-yn-1-ol

C7H6OS — CID 11040769

IUPAC3-thiophen-2-ylprop-2-yn-1-ol
SMILESOCC#Cc1cccs1
InChIInChI=1S/C7H6OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,5H2
InChIKeySVYGRAAJWLKOCZ-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.09
Rot. Bonds

About 3-thiophen-2-ylprop-2-yn-1-ol

3-thiophen-2-ylprop-2-yn-1-ol (PubChem CID 11040769) has the molecular formula C7H6OS and a molecular weight of 138.19 g/mol. Its IUPAC name is 3-thiophen-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-thiophen-2-ylprop-2-yn-1-ol
PubChem CID11040769
Molecular FormulaC7H6OS
Molecular Weight138.19 g/mol
Exact Mass138.01
IUPAC Name3-thiophen-2-ylprop-2-yn-1-ol
SMILESOCC#Cc1cccs1
InChIInChI=1S/C7H6OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,5H2
InChIKeySVYGRAAJWLKOCZ-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.09
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

5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
CID 440357
2-Thiopheneethanol
CID 79400
3-(Thiophen-2-yl)propan-1-ol
CID 13109866
2-Ethynylthiophene
CID 5246258
2-(Penta-1,3-diynyl)-5-(4-hydroxybut-1-ynyl)-thiophene
CID 14890287
2-Methyl-4-(thiophen-2-yl)but-3-yn-2-ol
CID 4405507
3-(2-Thienyl)-2-propynoic acid
CID 11804955
(E)-5-thiophen-2-ylpent-2-en-4-ynal
CID 14434944
2-(3-Buten-1-yn-1-yl)thiophene
CID 11829492
5-(5-But-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol
CID 14262758
3-(5-Hex-5-en-1,3-diynylthiophen-2-yl)prop-2-yn-1-ol
CID 14777887
5-(Thiophen-2-yl)pent-2-en-4-ynal
CID 71382431

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylprop-2-yn-1-ol?
The IUPAC name of 3-thiophen-2-ylprop-2-yn-1-ol (CID 11040769) is 3-thiophen-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 3-thiophen-2-ylprop-2-yn-1-ol?
The canonical SMILES for 3-thiophen-2-ylprop-2-yn-1-ol is OCC#Cc1cccs1.
What is the InChIKey of 3-thiophen-2-ylprop-2-yn-1-ol?
The InChIKey is SVYGRAAJWLKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,5H2.
What are the key properties of 3-thiophen-2-ylprop-2-yn-1-ol?
3-thiophen-2-ylprop-2-yn-1-ol has a molecular weight of 138.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 11040769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).