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

C13H10OS — CID 15829074

IUPAC1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-7,10,13-14H
InChIKeyJSJWJGGDTYNCCE-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.83
Rot. Bonds1

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

1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol (PubChem CID 15829074) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol
PubChem CID15829074
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol
SMILESOC(C#Cc1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-7,10,13-14H
InChIKeyJSJWJGGDTYNCCE-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.83
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 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol?
The IUPAC name of 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol (CID 15829074) is 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol is OC(C#Cc1cccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol?
The InChIKey is JSJWJGGDTYNCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-7,10,13-14H.
What are the key properties of 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol?
1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol has a molecular weight of 214.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 15829074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).