2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene

C20H14Cl2S — CID 12503708

IUPAC2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene
SMILESClc1ccc(/C=C/c2ccc(/C=C/c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H14Cl2S/c21-17-7-1-15(2-8-17)5-11-19-13-14-20(23-19)12-6-16-3-9-18(22)10-4-16/h1-14H/b11-5+,12-6+
InChIKeyUSOYVLCOCQBIGH-YDWXAUTNSA-N
MW357.31 g/mol
LogP7.40
Rot. Bonds4

About 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene

2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene (PubChem CID 12503708) has the molecular formula C20H14Cl2S and a molecular weight of 357.31 g/mol. Its IUPAC name is 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene.

Molecular Properties

Compound Name2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene
PubChem CID12503708
Molecular FormulaC20H14Cl2S
Molecular Weight357.31 g/mol
Exact Mass356.02
IUPAC Name2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene
SMILESClc1ccc(/C=C/c2ccc(/C=C/c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H14Cl2S/c21-17-7-1-15(2-8-17)5-11-19-13-14-20(23-19)12-6-16-3-9-18(22)10-4-16/h1-14H/b11-5+,12-6+
InChIKeyUSOYVLCOCQBIGH-YDWXAUTNSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.31
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
The IUPAC name of 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene (CID 12503708) is 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene.
What is the SMILES notation for 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
The canonical SMILES for 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene is Clc1ccc(/C=C/c2ccc(/C=C/c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
The InChIKey is USOYVLCOCQBIGH-YDWXAUTNSA-N. The full InChI is InChI=1S/C20H14Cl2S/c21-17-7-1-15(2-8-17)5-11-19-13-14-20(23-19)12-6-16-3-9-18(22)10-4-16/h1-14H/b11-5+,12-6+.
What are the key properties of 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene?
2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene has a molecular weight of 357.31 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene is sourced from PubChem (CID 12503708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).