2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile

C17H15N — CID 143621537

IUPAC2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile
SMILESC=C(C)c1ccc(-c2ccccc2C#N)c(C)c1
InChIInChI=1S/C17H15N/c1-12(2)14-8-9-16(13(3)10-14)17-7-5-4-6-15(17)11-18/h4-10H,1H2,2-3H3
InChIKeyLZOYORUFNPUFBL-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.57
Rot. Bonds2

About 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile

2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile (PubChem CID 143621537) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile
PubChem CID143621537
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile
SMILESC=C(C)c1ccc(-c2ccccc2C#N)c(C)c1
InChIInChI=1S/C17H15N/c1-12(2)14-8-9-16(13(3)10-14)17-7-5-4-6-15(17)11-18/h4-10H,1H2,2-3H3
InChIKeyLZOYORUFNPUFBL-UHFFFAOYSA-N
XLogP4.57
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-methyl-4-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

Related Compounds

ethane;2-[2-ethyl-4-(1-hydroxyethenyl)phenyl]benzonitrile
CID 143634115
2-hydroxy-4-prop-1-en-2-ylbenzonitrile
CID 177195315
2-(2-methoxy-4-methylphenyl)benzonitrile
CID 19389898
2-(2-fluoro-4-propan-2-ylphenyl)benzonitrile
CID 58431362
2-methylbenzonitrile
CID 162098401
5-bromo-2-(4-bromo-2-methylphenyl)benzonitrile
CID 175534790
4-amino-2-(2-methylphenyl)benzonitrile
CID 70133478
4-[[2-(2-cyanophenyl)benzoyl]amino]-3-methylbenzamide
CID 51114705
2-(4-pent-1-en-2-ylphenyl)benzonitrile
CID 143621524
azane;2-methylbenzonitrile
CID 158673628
2-(2-methylsulfanylphenyl)benzonitrile
CID 56776794
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile?
The IUPAC name of 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile (CID 143621537) is 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile?
The canonical SMILES for 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile is C=C(C)c1ccc(-c2ccccc2C#N)c(C)c1.
What is the InChIKey of 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile?
The InChIKey is LZOYORUFNPUFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12(2)14-8-9-16(13(3)10-14)17-7-5-4-6-15(17)11-18/h4-10H,1H2,2-3H3.
What are the key properties of 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile?
2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile has a molecular weight of 233.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-prop-1-en-2-ylphenyl)benzonitrile is sourced from PubChem (CID 143621537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).