2-(2,4-dichlorophenoxy)-6-methylbenzonitrile

C14H9Cl2NO — CID 21429560

IUPAC2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
SMILESCc1cccc(Oc2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H9Cl2NO/c1-9-3-2-4-13(11(9)8-17)18-14-6-5-10(15)7-12(14)16/h2-7H,1H3
InChIKeyUNADPNAHTYZVFG-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.97
Rot. Bonds2

About 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile

2-(2,4-dichlorophenoxy)-6-methylbenzonitrile (PubChem CID 21429560) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
PubChem CID21429560
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
SMILESCc1cccc(Oc2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H9Cl2NO/c1-9-3-2-4-13(11(9)8-17)18-14-6-5-10(15)7-12(14)16/h2-7H,1H3
InChIKeyUNADPNAHTYZVFG-UHFFFAOYSA-N
XLogP4.97
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile 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-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
CID 114881579
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
CID 62497150
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile?
The IUPAC name of 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile (CID 21429560) is 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile is Cc1cccc(Oc2ccc(Cl)cc2Cl)c1C#N.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile?
The InChIKey is UNADPNAHTYZVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c1-9-3-2-4-13(11(9)8-17)18-14-6-5-10(15)7-12(14)16/h2-7H,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile?
2-(2,4-dichlorophenoxy)-6-methylbenzonitrile has a molecular weight of 278.14 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-6-methylbenzonitrile is sourced from PubChem (CID 21429560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).