2-[2-(4-methoxyphenyl)ethynyl]thiophene

C13H10OS — CID 46218240

IUPAC2-[2-(4-methoxyphenyl)ethynyl]thiophene
SMILESCOc1ccc(C#Cc2cccs2)cc1
InChIInChI=1S/C13H10OS/c1-14-12-7-4-11(5-8-12)6-9-13-3-2-10-15-13/h2-5,7-8,10H,1H3
InChIKeyWOKALWZFQHFYKF-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.16
Rot. Bonds1

About 2-[2-(4-methoxyphenyl)ethynyl]thiophene

2-[2-(4-methoxyphenyl)ethynyl]thiophene (PubChem CID 46218240) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethynyl]thiophene.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethynyl]thiophene
PubChem CID46218240
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name2-[2-(4-methoxyphenyl)ethynyl]thiophene
SMILESCOc1ccc(C#Cc2cccs2)cc1
InChIInChI=1S/C13H10OS/c1-14-12-7-4-11(5-8-12)6-9-13-3-2-10-15-13/h2-5,7-8,10H,1H3
InChIKeyWOKALWZFQHFYKF-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
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 2-[2-(4-methoxyphenyl)ethynyl]thiophene?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethynyl]thiophene (CID 46218240) is 2-[2-(4-methoxyphenyl)ethynyl]thiophene.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethynyl]thiophene?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethynyl]thiophene is COc1ccc(C#Cc2cccs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethynyl]thiophene?
The InChIKey is WOKALWZFQHFYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c1-14-12-7-4-11(5-8-12)6-9-13-3-2-10-15-13/h2-5,7-8,10H,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethynyl]thiophene?
2-[2-(4-methoxyphenyl)ethynyl]thiophene has a molecular weight of 214.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethynyl]thiophene is sourced from PubChem (CID 46218240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).