3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene

C13H12OS — CID 11820631

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
SMILESCOc1ccc(/C=C/c2ccsc2)cc1
InChIInChI=1S/C13H12OS/c1-14-13-6-4-11(5-7-13)2-3-12-8-9-15-10-12/h2-10H,1H3/b3-2+
InChIKeyCUEHRJUKAGPKGZ-NSCUHMNNSA-N
MW216.31 g/mol
LogP3.93
Rot. Bonds3

About 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene

3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene (PubChem CID 11820631) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
PubChem CID11820631
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
SMILESCOc1ccc(/C=C/c2ccsc2)cc1
InChIInChI=1S/C13H12OS/c1-14-13-6-4-11(5-7-13)2-3-12-8-9-15-10-12/h2-10H,1H3/b3-2+
InChIKeyCUEHRJUKAGPKGZ-NSCUHMNNSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene (CID 11820631) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene is COc1ccc(/C=C/c2ccsc2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene?
The InChIKey is CUEHRJUKAGPKGZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H12OS/c1-14-13-6-4-11(5-7-13)2-3-12-8-9-15-10-12/h2-10H,1H3/b3-2+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene?
3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene has a molecular weight of 216.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene is sourced from PubChem (CID 11820631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).