2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene

C17H14OS2 — CID 46850581

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESCOc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C17H14OS2/c1-18-14-7-4-13(5-8-14)6-9-15-10-11-17(20-15)16-3-2-12-19-16/h2-12H,1H3/b9-6+
InChIKeyQMAMVHUSIRHBBL-RMKNXTFCSA-N
MW298.43 g/mol
LogP5.66
Rot. Bonds4

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene

2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene (PubChem CID 46850581) has the molecular formula C17H14OS2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene
PubChem CID46850581
Molecular FormulaC17H14OS2
Molecular Weight298.43 g/mol
Exact Mass298.05
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESCOc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C17H14OS2/c1-18-14-7-4-13(5-8-14)6-9-15-10-11-17(20-15)16-3-2-12-19-16/h2-12H,1H3/b9-6+
InChIKeyQMAMVHUSIRHBBL-RMKNXTFCSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene (CID 46850581) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene is COc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The InChIKey is QMAMVHUSIRHBBL-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14OS2/c1-18-14-7-4-13(5-8-14)6-9-15-10-11-17(20-15)16-3-2-12-19-16/h2-12H,1H3/b9-6+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene has a molecular weight of 298.43 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 46850581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).