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

C15H14S — CID 68818674

IUPAC2-[2-(3-propylphenyl)ethynyl]thiophene
SMILESCCCc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C15H14S/c1-2-5-13-6-3-7-14(12-13)9-10-15-8-4-11-16-15/h3-4,6-8,11-12H,2,5H2,1H3
InChIKeyOBFZUPAVTCZXEP-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.10
Rot. Bonds2

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

2-[2-(3-propylphenyl)ethynyl]thiophene (PubChem CID 68818674) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[2-(3-propylphenyl)ethynyl]thiophene.

Molecular Properties

Compound Name2-[2-(3-propylphenyl)ethynyl]thiophene
PubChem CID68818674
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name2-[2-(3-propylphenyl)ethynyl]thiophene
SMILESCCCc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C15H14S/c1-2-5-13-6-3-7-14(12-13)9-10-15-8-4-11-16-15/h3-4,6-8,11-12H,2,5H2,1H3
InChIKeyOBFZUPAVTCZXEP-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(3-propylphenyl)ethynyl]thiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propylphenyl)ethynyl]thiophene?
The IUPAC name of 2-[2-(3-propylphenyl)ethynyl]thiophene (CID 68818674) is 2-[2-(3-propylphenyl)ethynyl]thiophene.
What is the SMILES notation for 2-[2-(3-propylphenyl)ethynyl]thiophene?
The canonical SMILES for 2-[2-(3-propylphenyl)ethynyl]thiophene is CCCc1cccc(C#Cc2cccs2)c1.
What is the InChIKey of 2-[2-(3-propylphenyl)ethynyl]thiophene?
The InChIKey is OBFZUPAVTCZXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c1-2-5-13-6-3-7-14(12-13)9-10-15-8-4-11-16-15/h3-4,6-8,11-12H,2,5H2,1H3.
What are the key properties of 2-[2-(3-propylphenyl)ethynyl]thiophene?
2-[2-(3-propylphenyl)ethynyl]thiophene has a molecular weight of 226.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propylphenyl)ethynyl]thiophene is sourced from PubChem (CID 68818674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).