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

C16H11ClS2 — CID 15616762

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESClc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11ClS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H/b8-5+
InChIKeyFSNRXWNNVHKECR-VMPITWQZSA-N
MW302.85 g/mol
LogP6.30
Rot. Bonds3

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

2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene (PubChem CID 15616762) has the molecular formula C16H11ClS2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene
PubChem CID15616762
Molecular FormulaC16H11ClS2
Molecular Weight302.85 g/mol
Exact Mass302.00
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESClc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11ClS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H/b8-5+
InChIKeyFSNRXWNNVHKECR-VMPITWQZSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene (CID 15616762) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene is Clc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The InChIKey is FSNRXWNNVHKECR-VMPITWQZSA-N. The full InChI is InChI=1S/C16H11ClS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H/b8-5+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene?
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene has a molecular weight of 302.85 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 15616762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).