2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile

C18H18ClNO — CID 82141531

IUPAC2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
SMILESCCc1ccc(OC)c(CC(C#N)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClNO/c1-3-13-7-8-18(21-2)15(9-13)10-16(12-20)14-5-4-6-17(19)11-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyRYDJUVHBJJHZLJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.76
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile

2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile (PubChem CID 82141531) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
PubChem CID82141531
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
SMILESCCc1ccc(OC)c(CC(C#N)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClNO/c1-3-13-7-8-18(21-2)15(9-13)10-16(12-20)14-5-4-6-17(19)11-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyRYDJUVHBJJHZLJ-UHFFFAOYSA-N
XLogP4.76
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
CID 82141551
2-(3,4-dichlorophenyl)-3-(3-ethyl-4-methoxyphenyl)propanenitrile
CID 82141675
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
3-(3-chloro-4-methoxyphenyl)-2-phenylpropanenitrile
CID 82141770
3-[1-cyano-2-(5-fluoro-2-methoxyphenyl)ethyl]benzonitrile
CID 82141934
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140756
3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
CID 82141674
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
2-[(3-ethyl-4-methoxyphenyl)methyl]butanenitrile
CID 116931524
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile (CID 82141531) is 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile is CCc1ccc(OC)c(CC(C#N)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
The InChIKey is RYDJUVHBJJHZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-13-7-8-18(21-2)15(9-13)10-16(12-20)14-5-4-6-17(19)11-14/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile has a molecular weight of 299.80 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82141531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).