2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile

C19H20ClNO2 — CID 82141551

IUPAC2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
SMILESCCc1ccc(OC)c(CC(C#N)c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C19H20ClNO2/c1-4-13-5-7-18(22-2)15(9-13)10-16(12-21)14-6-8-19(23-3)17(20)11-14/h5-9,11,16H,4,10H2,1-3H3
InChIKeyZRXGMUMGRDHBQA-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.77
Rot. Bonds6

About 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile

2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile (PubChem CID 82141551) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
PubChem CID82141551
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
SMILESCCc1ccc(OC)c(CC(C#N)c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C19H20ClNO2/c1-4-13-5-7-18(22-2)15(9-13)10-16(12-21)14-6-8-19(23-3)17(20)11-14/h5-9,11,16H,4,10H2,1-3H3
InChIKeyZRXGMUMGRDHBQA-UHFFFAOYSA-N
XLogP4.77
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile 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

2-(3-chlorophenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
CID 82141531
2-(3,4-dichlorophenyl)-3-(3-ethyl-4-methoxyphenyl)propanenitrile
CID 82141675
3-(4-tert-butylphenyl)-2-(3-chloro-4-methoxyphenyl)propanenitrile
CID 82140135
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
3-(3-chloro-4-methoxyphenyl)-2-phenylpropanenitrile
CID 82141770
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140756
2-[(3-ethyl-4-methoxyphenyl)methyl]butanenitrile
CID 116931524
3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
CID 82141674
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butanenitrile
CID 116931504
N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
CID 96660374
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
CID 82091793
2-(3-ethyl-4-methoxyphenyl)-4-phenylbutanenitrile
CID 82137906

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile (CID 82141551) is 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile is CCc1ccc(OC)c(CC(C#N)c2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
The InChIKey is ZRXGMUMGRDHBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-4-13-5-7-18(22-2)15(9-13)10-16(12-21)14-6-8-19(23-3)17(20)11-14/h5-9,11,16H,4,10H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile?
2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile has a molecular weight of 329.83 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82141551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).