3-(2-chlorophenyl)-4-phenylthiophene

C16H11ClS — CID 134951243

IUPAC3-(2-chlorophenyl)-4-phenylthiophene
SMILESClc1ccccc1-c1cscc1-c1ccccc1
InChIInChI=1S/C16H11ClS/c17-16-9-5-4-8-13(16)15-11-18-10-14(15)12-6-2-1-3-7-12/h1-11H
InChIKeyKDDKFAOCCBJQBQ-UHFFFAOYSA-N
MW270.78 g/mol
LogP5.74
Rot. Bonds2

About 3-(2-chlorophenyl)-4-phenylthiophene

3-(2-chlorophenyl)-4-phenylthiophene (PubChem CID 134951243) has the molecular formula C16H11ClS and a molecular weight of 270.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-phenylthiophene.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-phenylthiophene
PubChem CID134951243
Molecular FormulaC16H11ClS
Molecular Weight270.78 g/mol
Exact Mass270.03
IUPAC Name3-(2-chlorophenyl)-4-phenylthiophene
SMILESClc1ccccc1-c1cscc1-c1ccccc1
InChIInChI=1S/C16H11ClS/c17-16-9-5-4-8-13(16)15-11-18-10-14(15)12-6-2-1-3-7-12/h1-11H
InChIKeyKDDKFAOCCBJQBQ-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-(2-chlorophenyl)-4-phenylthiophene?
The IUPAC name of 3-(2-chlorophenyl)-4-phenylthiophene (CID 134951243) is 3-(2-chlorophenyl)-4-phenylthiophene.
What is the SMILES notation for 3-(2-chlorophenyl)-4-phenylthiophene?
The canonical SMILES for 3-(2-chlorophenyl)-4-phenylthiophene is Clc1ccccc1-c1cscc1-c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-4-phenylthiophene?
The InChIKey is KDDKFAOCCBJQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClS/c17-16-9-5-4-8-13(16)15-11-18-10-14(15)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-(2-chlorophenyl)-4-phenylthiophene?
3-(2-chlorophenyl)-4-phenylthiophene 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-(2-chlorophenyl)-4-phenylthiophene is sourced from PubChem (CID 134951243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).