2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol

C14H12OS — CID 130055842

IUPAC2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H12OS/c1-14(15,12-6-3-2-4-7-12)10-9-13-8-5-11-16-13/h2-8,11,15H,1H3
InChIKeySWDALVYTYSGWOI-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.01
Rot. Bonds1

About 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol

2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol (PubChem CID 130055842) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol
PubChem CID130055842
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H12OS/c1-14(15,12-6-3-2-4-7-12)10-9-13-8-5-11-16-13/h2-8,11,15H,1H3
InChIKeySWDALVYTYSGWOI-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.01
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

2-methyl-4-thiophen-2-ylbut-3-yne-1,2-diol
CID 44519880
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
trimethyl-(2-methyl-4-thiophen-2-ylbut-3-yn-2-yl)oxysilane
CID 146003769
5,5,5-trifluoro-2-phenylpent-3-yn-2-ol
CID 4084211
4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
2-phenyl-4-(3,4,5-trifluorophenyl)but-3-yn-2-ol
CID 146003785
(1S)-4-methyl-1-phenyl-1-thiophen-2-ylpent-2-yne-1,4-diol
CID 751171
1-[4-(3-hydroxy-3-phenylbut-1-ynyl)phenyl]ethanone
CID 11184641
4-(2-nitrophenyl)-2-phenylbut-3-yn-2-ol
CID 23345644
4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003482
4-(3,4-dimethoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 146003165

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol?
The IUPAC name of 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol (CID 130055842) is 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol.
What is the SMILES notation for 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol?
The canonical SMILES for 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol is CC(O)(C#Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol?
The InChIKey is SWDALVYTYSGWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-14(15,12-6-3-2-4-7-12)10-9-13-8-5-11-16-13/h2-8,11,15H,1H3.
What are the key properties of 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol?
2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol has a molecular weight of 228.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol is sourced from PubChem (CID 130055842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).