2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile

C18H17N — CID 166763209

IUPAC2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile
SMILESC=C(C)c1ccccc1-c1ccc(CC)c(C#N)c1
InChIInChI=1S/C18H17N/c1-4-14-9-10-15(11-16(14)12-19)18-8-6-5-7-17(18)13(2)3/h5-11H,2,4H2,1,3H3
InChIKeyIVFYIICMYLBGOS-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.82
Rot. Bonds3

About 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile

2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile (PubChem CID 166763209) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile
PubChem CID166763209
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile
SMILESC=C(C)c1ccccc1-c1ccc(CC)c(C#N)c1
InChIInChI=1S/C18H17N/c1-4-14-9-10-15(11-16(14)12-19)18-8-6-5-7-17(18)13(2)3/h5-11H,2,4H2,1,3H3
InChIKeyIVFYIICMYLBGOS-UHFFFAOYSA-N
XLogP4.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile?
The IUPAC name of 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile (CID 166763209) is 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile.
What is the SMILES notation for 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile?
The canonical SMILES for 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile is C=C(C)c1ccccc1-c1ccc(CC)c(C#N)c1.
What is the InChIKey of 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile?
The InChIKey is IVFYIICMYLBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-4-14-9-10-15(11-16(14)12-19)18-8-6-5-7-17(18)13(2)3/h5-11H,2,4H2,1,3H3.
What are the key properties of 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile?
2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile has a molecular weight of 247.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-prop-1-en-2-ylphenyl)benzonitrile is sourced from PubChem (CID 166763209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).