3-chloro-2,5-diphenylthiophene

C16H11ClS — CID 25270072

IUPAC3-chloro-2,5-diphenylthiophene
SMILESClc1cc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C16H11ClS/c17-14-11-15(12-7-3-1-4-8-12)18-16(14)13-9-5-2-6-10-13/h1-11H
InChIKeyCKTFOIYDRRACGK-UHFFFAOYSA-N
MW270.78 g/mol
LogP5.74
Rot. Bonds2

About 3-chloro-2,5-diphenylthiophene

3-chloro-2,5-diphenylthiophene (PubChem CID 25270072) has the molecular formula C16H11ClS and a molecular weight of 270.78 g/mol. Its IUPAC name is 3-chloro-2,5-diphenylthiophene.

Molecular Properties

Compound Name3-chloro-2,5-diphenylthiophene
PubChem CID25270072
Molecular FormulaC16H11ClS
Molecular Weight270.78 g/mol
Exact Mass270.03
IUPAC Name3-chloro-2,5-diphenylthiophene
SMILESClc1cc(-c2ccccc2)sc1-c1ccccc1
InChIInChI=1S/C16H11ClS/c17-14-11-15(12-7-3-1-4-8-12)18-16(14)13-9-5-2-6-10-13/h1-11H
InChIKeyCKTFOIYDRRACGK-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.78
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-diphenylthiophene?
The IUPAC name of 3-chloro-2,5-diphenylthiophene (CID 25270072) is 3-chloro-2,5-diphenylthiophene.
What is the SMILES notation for 3-chloro-2,5-diphenylthiophene?
The canonical SMILES for 3-chloro-2,5-diphenylthiophene is Clc1cc(-c2ccccc2)sc1-c1ccccc1.
What is the InChIKey of 3-chloro-2,5-diphenylthiophene?
The InChIKey is CKTFOIYDRRACGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClS/c17-14-11-15(12-7-3-1-4-8-12)18-16(14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 3-chloro-2,5-diphenylthiophene?
3-chloro-2,5-diphenylthiophene has a molecular weight of 270.78 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-diphenylthiophene is sourced from PubChem (CID 25270072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).