2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile

C14H11NO2S — CID 60624193

IUPAC2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(=O)c2cccs2)cc1
InChIInChI=1S/C14H11NO2S/c15-8-7-11-3-5-12(6-4-11)17-10-13(16)14-2-1-9-18-14/h1-6,9H,7,10H2
InChIKeyCXVDWPQBHYDSGF-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile

2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile (PubChem CID 60624193) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
PubChem CID60624193
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(=O)c2cccs2)cc1
InChIInChI=1S/C14H11NO2S/c15-8-7-11-3-5-12(6-4-11)17-10-13(16)14-2-1-9-18-14/h1-6,9H,7,10H2
InChIKeyCXVDWPQBHYDSGF-UHFFFAOYSA-N
XLogP3.08
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624197
2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
(2-oxo-2-thiophen-2-ylethyl) 4-(2-amino-2-oxoethoxy)benzoate
CID 8678423
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile (CID 60624193) is 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile is N#CCc1ccc(OCC(=O)c2cccs2)cc1.
What is the InChIKey of 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile?
The InChIKey is CXVDWPQBHYDSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c15-8-7-11-3-5-12(6-4-11)17-10-13(16)14-2-1-9-18-14/h1-6,9H,7,10H2.
What are the key properties of 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile?
2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile has a molecular weight of 257.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-2-thiophen-2-ylethoxy)phenyl]acetonitrile is sourced from PubChem (CID 60624193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).