3-(2-phenylethoxy)thiophene-2-carbonitrile

C13H11NOS — CID 91416363

IUPAC3-(2-phenylethoxy)thiophene-2-carbonitrile
SMILESN#Cc1sccc1OCCc1ccccc1
InChIInChI=1S/C13H11NOS/c14-10-13-12(7-9-16-13)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2
InChIKeySGASODGHANLJBM-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.24
Rot. Bonds4

About 3-(2-phenylethoxy)thiophene-2-carbonitrile

3-(2-phenylethoxy)thiophene-2-carbonitrile (PubChem CID 91416363) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(2-phenylethoxy)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-(2-phenylethoxy)thiophene-2-carbonitrile
PubChem CID91416363
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name3-(2-phenylethoxy)thiophene-2-carbonitrile
SMILESN#Cc1sccc1OCCc1ccccc1
InChIInChI=1S/C13H11NOS/c14-10-13-12(7-9-16-13)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2
InChIKeySGASODGHANLJBM-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylethoxy)thiophene-2-carboxylic acid
CID 55203100
3-chloro-4-(2-phenylethoxy)benzonitrile
CID 60667396
4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806
4-(bromomethyl)-3-[2-(4-phenylphenyl)ethoxy]benzonitrile
CID 70247154
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
4-bromo-2-(3-phenylpropoxy)benzonitrile
CID 114902467
3-iodo-5-methoxy-4-(2-phenylethoxy)benzonitrile
CID 2229018
2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]acetonitrile
CID 4724686
2-chloro-3-(2-phenylethoxy)aniline
CID 140509914
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
CID 58731637
CID 58731637
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)thiophene-2-carbonitrile?
The IUPAC name of 3-(2-phenylethoxy)thiophene-2-carbonitrile (CID 91416363) is 3-(2-phenylethoxy)thiophene-2-carbonitrile.
What is the SMILES notation for 3-(2-phenylethoxy)thiophene-2-carbonitrile?
The canonical SMILES for 3-(2-phenylethoxy)thiophene-2-carbonitrile is N#Cc1sccc1OCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethoxy)thiophene-2-carbonitrile?
The InChIKey is SGASODGHANLJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-10-13-12(7-9-16-13)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8H2.
What are the key properties of 3-(2-phenylethoxy)thiophene-2-carbonitrile?
3-(2-phenylethoxy)thiophene-2-carbonitrile has a molecular weight of 229.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)thiophene-2-carbonitrile is sourced from PubChem (CID 91416363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).