2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene

C12H9ClS — CID 11379024

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene
SMILESClc1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C12H9ClS/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h1-9H/b8-5+
InChIKeyXMDFMWDQCHMLPS-VMPITWQZSA-N
MW220.72 g/mol
LogP4.57
Rot. Bonds2

About 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene

2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene (PubChem CID 11379024) has the molecular formula C12H9ClS and a molecular weight of 220.72 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene
PubChem CID11379024
Molecular FormulaC12H9ClS
Molecular Weight220.72 g/mol
Exact Mass220.01
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene
SMILESClc1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C12H9ClS/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h1-9H/b8-5+
InChIKeyXMDFMWDQCHMLPS-VMPITWQZSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene (CID 11379024) is 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene is Clc1ccc(/C=C/c2cccs2)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
The InChIKey is XMDFMWDQCHMLPS-VMPITWQZSA-N. The full InChI is InChI=1S/C12H9ClS/c13-11-6-3-10(4-7-11)5-8-12-2-1-9-14-12/h1-9H/b8-5+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene has a molecular weight of 220.72 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]thiophene is sourced from PubChem (CID 11379024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).