2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile

C13H11NOS — CID 24703344

IUPAC2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C13H11NOS/c14-8-7-11-3-5-12(6-4-11)15-10-13-2-1-9-16-13/h1-6,9H,7,10H2
InChIKeyQKXUADCGVZCEEW-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.39
Rot. Bonds4

About 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile

2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile (PubChem CID 24703344) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
PubChem CID24703344
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C13H11NOS/c14-8-7-11-3-5-12(6-4-11)15-10-13-2-1-9-16-13/h1-6,9H,7,10H2
InChIKeyQKXUADCGVZCEEW-UHFFFAOYSA-N
XLogP3.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile (CID 24703344) is 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile is N#CCc1ccc(OCc2cccs2)cc1.
What is the InChIKey of 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile?
The InChIKey is QKXUADCGVZCEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-8-7-11-3-5-12(6-4-11)15-10-13-2-1-9-16-13/h1-6,9H,7,10H2.
What are the key properties of 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile?
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile has a molecular weight of 229.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile is sourced from PubChem (CID 24703344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).