5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile

C15H11Cl2NO — CID 63510537

IUPAC5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1C#N
InChIInChI=1S/C15H11Cl2NO/c1-9-5-13(17)6-10(2)15(9)19-14-4-3-12(16)7-11(14)8-18/h3-7H,1-2H3
InChIKeyBGASIAXHTPXBBL-UHFFFAOYSA-N
MW292.17 g/mol
LogP5.27
Rot. Bonds2

About 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile

5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile (PubChem CID 63510537) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
PubChem CID63510537
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1C#N
InChIInChI=1S/C15H11Cl2NO/c1-9-5-13(17)6-10(2)15(9)19-14-4-3-12(16)7-11(14)8-18/h3-7H,1-2H3
InChIKeyBGASIAXHTPXBBL-UHFFFAOYSA-N
XLogP5.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.17
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
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2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
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4-(2-cyano-4-methylphenoxy)-3,5-dimethylbenzonitrile
CID 107928220
2-(4-chloro-2,6-dimethylphenoxy)-6-fluorobenzonitrile
CID 79513408
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
4-(2-cyano-4-fluorophenoxy)-3,5-dimethylbenzonitrile
CID 65470191
4-(4-chloro-2-formylphenoxy)-3,5-dimethylbenzonitrile
CID 114844943
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile
CID 167727426
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
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5-chloro-2-(2,4-dibromophenoxy)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile?
The IUPAC name of 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile (CID 63510537) is 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile.
What is the SMILES notation for 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile?
The canonical SMILES for 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile is Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile?
The InChIKey is BGASIAXHTPXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c1-9-5-13(17)6-10(2)15(9)19-14-4-3-12(16)7-11(14)8-18/h3-7H,1-2H3.
What are the key properties of 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile?
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile has a molecular weight of 292.17 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile is sourced from PubChem (CID 63510537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).