3-[2-(2-ethenylphenyl)ethynyl]thiophene

C14H10S — CID 150232619

IUPAC3-[2-(2-ethenylphenyl)ethynyl]thiophene
SMILESC=Cc1ccccc1C#Cc1ccsc1
InChIInChI=1S/C14H10S/c1-2-13-5-3-4-6-14(13)8-7-12-9-10-15-11-12/h2-6,9-11H,1H2
InChIKeyFVUPHTJMYRMPKW-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.79
Rot. Bonds1

About 3-[2-(2-ethenylphenyl)ethynyl]thiophene

3-[2-(2-ethenylphenyl)ethynyl]thiophene (PubChem CID 150232619) has the molecular formula C14H10S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-[2-(2-ethenylphenyl)ethynyl]thiophene.

Molecular Properties

Compound Name3-[2-(2-ethenylphenyl)ethynyl]thiophene
PubChem CID150232619
Molecular FormulaC14H10S
Molecular Weight210.30 g/mol
Exact Mass210.05
IUPAC Name3-[2-(2-ethenylphenyl)ethynyl]thiophene
SMILESC=Cc1ccccc1C#Cc1ccsc1
InChIInChI=1S/C14H10S/c1-2-13-5-3-4-6-14(13)8-7-12-9-10-15-11-12/h2-6,9-11H,1H2
InChIKeyFVUPHTJMYRMPKW-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-thiophen-3-ylethynyl)benzaldehyde
CID 125484862
phenyl-[4-(2-thiophen-3-ylethynyl)phenyl]diazene
CID 132503077
2-(2-thiophen-3-ylethynyl)benzamide
CID 102191479
3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
2-(6-thiophen-3-ylhex-3-en-1,5-diynyl)benzonitrile
CID 71419264
triphenyl(2-thiophen-3-ylethynyl)phosphanium bromide
CID 166771661
4-(2-ethenylphenyl)but-3-ynenitrile
CID 170474352
2-thiophen-3-ylethynylsilane
CID 174774577
2-thiophen-3-ylethynethiolate
CID 101453743
3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene
CID 46915453
N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine
CID 175900520
2-(4-thiophen-3-ylbuta-1,3-diynyl)benzamide
CID 87072517

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethenylphenyl)ethynyl]thiophene?
The IUPAC name of 3-[2-(2-ethenylphenyl)ethynyl]thiophene (CID 150232619) is 3-[2-(2-ethenylphenyl)ethynyl]thiophene.
What is the SMILES notation for 3-[2-(2-ethenylphenyl)ethynyl]thiophene?
The canonical SMILES for 3-[2-(2-ethenylphenyl)ethynyl]thiophene is C=Cc1ccccc1C#Cc1ccsc1.
What is the InChIKey of 3-[2-(2-ethenylphenyl)ethynyl]thiophene?
The InChIKey is FVUPHTJMYRMPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10S/c1-2-13-5-3-4-6-14(13)8-7-12-9-10-15-11-12/h2-6,9-11H,1H2.
What are the key properties of 3-[2-(2-ethenylphenyl)ethynyl]thiophene?
3-[2-(2-ethenylphenyl)ethynyl]thiophene has a molecular weight of 210.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethenylphenyl)ethynyl]thiophene is sourced from PubChem (CID 150232619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).