2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile

C14H8Cl3NO — CID 102724001

IUPAC2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H8Cl3NO/c15-11-3-1-10(13(16)5-11)8-19-12-4-2-9(7-18)14(17)6-12/h1-6H,8H2
InChIKeyFJPZCXBLIRDXIW-UHFFFAOYSA-N
MW312.58 g/mol
LogP5.10
Rot. Bonds3

About 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile

2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile (PubChem CID 102724001) has the molecular formula C14H8Cl3NO and a molecular weight of 312.58 g/mol. Its IUPAC name is 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
PubChem CID102724001
Molecular FormulaC14H8Cl3NO
Molecular Weight312.58 g/mol
Exact Mass310.97
IUPAC Name2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H8Cl3NO/c15-11-3-1-10(13(16)5-11)8-19-12-4-2-9(7-18)14(17)6-12/h1-6H,8H2
InChIKeyFJPZCXBLIRDXIW-UHFFFAOYSA-N
XLogP5.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.58
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile
CID 102724066
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
4-[4-(bromomethyl)-3-chlorophenoxy]-2-chlorobenzonitrile
CID 66697120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile (CID 102724001) is 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile?
The InChIKey is FJPZCXBLIRDXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO/c15-11-3-1-10(13(16)5-11)8-19-12-4-2-9(7-18)14(17)6-12/h1-6H,8H2.
What are the key properties of 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile?
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile has a molecular weight of 312.58 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102724001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).