4-(1-benzothiophen-3-yloxy)benzonitrile

C15H9NOS — CID 11482121

IUPAC4-(1-benzothiophen-3-yloxy)benzonitrile
SMILESN#Cc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C15H9NOS/c16-9-11-5-7-12(8-6-11)17-14-10-18-15-4-2-1-3-13(14)15/h1-8,10H
InChIKeyFENFYEDHTZSWGD-UHFFFAOYSA-N
MW251.31 g/mol
LogP4.57
Rot. Bonds2

About 4-(1-benzothiophen-3-yloxy)benzonitrile

4-(1-benzothiophen-3-yloxy)benzonitrile (PubChem CID 11482121) has the molecular formula C15H9NOS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yloxy)benzonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yloxy)benzonitrile
PubChem CID11482121
Molecular FormulaC15H9NOS
Molecular Weight251.31 g/mol
Exact Mass251.04
IUPAC Name4-(1-benzothiophen-3-yloxy)benzonitrile
SMILESN#Cc1ccc(Oc2csc3ccccc23)cc1
InChIInChI=1S/C15H9NOS/c16-9-11-5-7-12(8-6-11)17-14-10-18-15-4-2-1-3-13(14)15/h1-8,10H
InChIKeyFENFYEDHTZSWGD-UHFFFAOYSA-N
XLogP4.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yloxy)benzonitrile?
The IUPAC name of 4-(1-benzothiophen-3-yloxy)benzonitrile (CID 11482121) is 4-(1-benzothiophen-3-yloxy)benzonitrile.
What is the SMILES notation for 4-(1-benzothiophen-3-yloxy)benzonitrile?
The canonical SMILES for 4-(1-benzothiophen-3-yloxy)benzonitrile is N#Cc1ccc(Oc2csc3ccccc23)cc1.
What is the InChIKey of 4-(1-benzothiophen-3-yloxy)benzonitrile?
The InChIKey is FENFYEDHTZSWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NOS/c16-9-11-5-7-12(8-6-11)17-14-10-18-15-4-2-1-3-13(14)15/h1-8,10H.
What are the key properties of 4-(1-benzothiophen-3-yloxy)benzonitrile?
4-(1-benzothiophen-3-yloxy)benzonitrile has a molecular weight of 251.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yloxy)benzonitrile is sourced from PubChem (CID 11482121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).