3-[4-(4-chlorophenoxy)phenyl]thiophene

C16H11ClOS — CID 134967442

IUPAC3-[4-(4-chlorophenoxy)phenyl]thiophene
SMILESClc1ccc(Oc2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C16H11ClOS/c17-14-3-7-16(8-4-14)18-15-5-1-12(2-6-15)13-9-10-19-11-13/h1-11H
InChIKeyQGNOBTGNMBOSCF-UHFFFAOYSA-N
MW286.78 g/mol
LogP5.86
Rot. Bonds3

About 3-[4-(4-chlorophenoxy)phenyl]thiophene

3-[4-(4-chlorophenoxy)phenyl]thiophene (PubChem CID 134967442) has the molecular formula C16H11ClOS and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]thiophene.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]thiophene
PubChem CID134967442
Molecular FormulaC16H11ClOS
Molecular Weight286.78 g/mol
Exact Mass286.02
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]thiophene
SMILESClc1ccc(Oc2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C16H11ClOS/c17-14-3-7-16(8-4-14)18-15-5-1-12(2-6-15)13-9-10-19-11-13/h1-11H
InChIKeyQGNOBTGNMBOSCF-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.78
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]thiophene?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]thiophene (CID 134967442) is 3-[4-(4-chlorophenoxy)phenyl]thiophene.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]thiophene?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]thiophene is Clc1ccc(Oc2ccc(-c3ccsc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]thiophene?
The InChIKey is QGNOBTGNMBOSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClOS/c17-14-3-7-16(8-4-14)18-15-5-1-12(2-6-15)13-9-10-19-11-13/h1-11H.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]thiophene?
3-[4-(4-chlorophenoxy)phenyl]thiophene has a molecular weight of 286.78 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]thiophene is sourced from PubChem (CID 134967442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).