2-(3-thiophen-2-yloxyphenyl)acetonitrile

C12H9NOS — CID 70520941

IUPAC2-(3-thiophen-2-yloxyphenyl)acetonitrile
SMILESN#CCc1cccc(Oc2cccs2)c1
InChIInChI=1S/C12H9NOS/c13-7-6-10-3-1-4-11(9-10)14-12-5-2-8-15-12/h1-5,8-9H,6H2
InChIKeyQMKQYPOVIHZAEV-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.61
Rot. Bonds3

About 2-(3-thiophen-2-yloxyphenyl)acetonitrile

2-(3-thiophen-2-yloxyphenyl)acetonitrile (PubChem CID 70520941) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(3-thiophen-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-thiophen-2-yloxyphenyl)acetonitrile
PubChem CID70520941
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name2-(3-thiophen-2-yloxyphenyl)acetonitrile
SMILESN#CCc1cccc(Oc2cccs2)c1
InChIInChI=1S/C12H9NOS/c13-7-6-10-3-1-4-11(9-10)14-12-5-2-8-15-12/h1-5,8-9H,6H2
InChIKeyQMKQYPOVIHZAEV-UHFFFAOYSA-N
XLogP3.61
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(3-thiophen-2-yloxyphenyl)acetonitrile (CID 70520941) is 2-(3-thiophen-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-thiophen-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-thiophen-2-yloxyphenyl)acetonitrile is N#CCc1cccc(Oc2cccs2)c1.
What is the InChIKey of 2-(3-thiophen-2-yloxyphenyl)acetonitrile?
The InChIKey is QMKQYPOVIHZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c13-7-6-10-3-1-4-11(9-10)14-12-5-2-8-15-12/h1-5,8-9H,6H2.
What are the key properties of 2-(3-thiophen-2-yloxyphenyl)acetonitrile?
2-(3-thiophen-2-yloxyphenyl)acetonitrile has a molecular weight of 215.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 70520941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).