2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile

C16H14ClN — CID 82088876

IUPAC2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
SMILESCc1ccc(CC(C#N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN/c1-12-6-8-13(9-7-12)10-14(11-18)15-4-2-3-5-16(15)17/h2-9,14H,10H2,1H3
InChIKeyJQOVVNDXGRAKIW-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.50
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile

2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile (PubChem CID 82088876) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
PubChem CID82088876
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
SMILESCc1ccc(CC(C#N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN/c1-12-6-8-13(9-7-12)10-14(11-18)15-4-2-3-5-16(15)17/h2-9,14H,10H2,1H3
InChIKeyJQOVVNDXGRAKIW-UHFFFAOYSA-N
XLogP4.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile
CID 82087236
3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile
CID 158100103
2-(2-chlorophenyl)-5-(4-methylphenyl)-3-oxopentanenitrile
CID 62503456
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140040
3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile
CID 82139465
2-(2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanenitrile
CID 82140092
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994
4-[2-cyano-2-(2-methylphenyl)ethyl]benzoic acid
CID 82139680
2-(2-chlorophenyl)-4-(2,6-dimethylphenoxy)butanenitrile
CID 82137092
3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide
CID 82129603
3-(4-tert-butylphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140123
1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105079773

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile (CID 82088876) is 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile is Cc1ccc(CC(C#N)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile?
The InChIKey is JQOVVNDXGRAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c1-12-6-8-13(9-7-12)10-14(11-18)15-4-2-3-5-16(15)17/h2-9,14H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile?
2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile has a molecular weight of 255.75 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile is sourced from PubChem (CID 82088876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).