2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile

C17H14ClNO2 — CID 62503872

IUPAC2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
SMILESCOc1ccc(C)cc1C(=O)C(C#N)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO2/c1-11-7-8-16(21-2)13(9-11)17(20)14(10-19)12-5-3-4-6-15(12)18/h3-9,14H,1-2H3
InChIKeyDHFSBAQIBVCVEO-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.15
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile

2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile (PubChem CID 62503872) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
PubChem CID62503872
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
SMILESCOc1ccc(C)cc1C(=O)C(C#N)c1ccccc1Cl
InChIInChI=1S/C17H14ClNO2/c1-11-7-8-16(21-2)13(9-11)17(20)14(10-19)12-5-3-4-6-15(12)18/h3-9,14H,1-2H3
InChIKeyDHFSBAQIBVCVEO-UHFFFAOYSA-N
XLogP4.15
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile 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-(2-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-3-oxopropanenitrile
CID 63037595
3-(3-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)-3-oxopropanenitrile
CID 81265843
3-(4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
CID 43334300
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
CID 43334299
3-(5-chloro-2-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 43333812
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
3-(2,4-dimethylphenyl)-2-(2-methylphenyl)-3-oxopropanenitrile
CID 43333910
3-cyclopropyl-2-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
CID 43156965
3-(2,5-dimethoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 60975493
3-(2-bromo-5-methylphenyl)-2-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 81110130
3-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43157101
2-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
CID 63037247

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile?
The IUPAC name of 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile (CID 62503872) is 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile is COc1ccc(C)cc1C(=O)C(C#N)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile?
The InChIKey is DHFSBAQIBVCVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-11-7-8-16(21-2)13(9-11)17(20)14(10-19)12-5-3-4-6-15(12)18/h3-9,14H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile?
2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile has a molecular weight of 299.76 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile is sourced from PubChem (CID 62503872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).