4-[(2,5-dichlorophenyl)methoxy]benzonitrile

C14H9Cl2NO — CID 65317709

IUPAC4-[(2,5-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H9Cl2NO/c15-12-3-6-14(16)11(7-12)9-18-13-4-1-10(8-17)2-5-13/h1-7H,9H2
InChIKeyWKOVSEUNEOJVNG-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.44
Rot. Bonds3

About 4-[(2,5-dichlorophenyl)methoxy]benzonitrile

4-[(2,5-dichlorophenyl)methoxy]benzonitrile (PubChem CID 65317709) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methoxy]benzonitrile
PubChem CID65317709
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name4-[(2,5-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H9Cl2NO/c15-12-3-6-14(16)11(7-12)9-18-13-4-1-10(8-17)2-5-13/h1-7H,9H2
InChIKeyWKOVSEUNEOJVNG-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

1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
4-[(2-chloro-5-nitrophenyl)methoxy]benzonitrile
CID 43169197
3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65318301
4-chloro-3-[(2-chloropyrimidin-5-yl)oxymethyl]benzonitrile
CID 142330662
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
4-[(4-chloro-3-fluorophenoxy)methyl]-3-methylbenzonitrile
CID 114481658
4-[(4-chloro-3-methylphenoxy)methyl]-3-methylbenzonitrile
CID 114481523
3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
3-chloro-4-(phenoxymethyl)benzonitrile
CID 102665790

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The IUPAC name of 4-[(2,5-dichlorophenyl)methoxy]benzonitrile (CID 65317709) is 4-[(2,5-dichlorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The InChIKey is WKOVSEUNEOJVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-12-3-6-14(16)11(7-12)9-18-13-4-1-10(8-17)2-5-13/h1-7H,9H2.
What are the key properties of 4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
4-[(2,5-dichlorophenyl)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 4-[(2,5-dichlorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 65317709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).