2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile

C14H9Cl2NO — CID 65126447

IUPAC2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H9Cl2NO/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-7H,9H2
InChIKeyBUIDCIWCHOBAJA-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile

2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile (PubChem CID 65126447) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
PubChem CID65126447
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H9Cl2NO/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-7H,9H2
InChIKeyBUIDCIWCHOBAJA-UHFFFAOYSA-N
XLogP4.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-chloro-4-(phenylmethoxymethoxy)benzonitrile
CID 102674690
2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile
CID 102724066
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077
2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
CID 102674720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile (CID 65126447) is 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile?
The InChIKey is BUIDCIWCHOBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-12-4-1-10(2-5-12)9-18-13-6-3-11(8-17)14(16)7-13/h1-7H,9H2.
What are the key properties of 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile?
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile has a molecular weight of 278.14 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 65126447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).