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

C14H8Cl3NO — CID 114322743

IUPAC4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3NO/c15-11-3-4-13(17)10(5-11)8-19-14-6-12(16)2-1-9(14)7-18/h1-6H,8H2
InChIKeyRNPQPJSDNLXEMZ-UHFFFAOYSA-N
MW312.58 g/mol
LogP5.10
Rot. Bonds3

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

4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile (PubChem CID 114322743) has the molecular formula C14H8Cl3NO and a molecular weight of 312.58 g/mol. Its IUPAC name is 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
PubChem CID114322743
Molecular FormulaC14H8Cl3NO
Molecular Weight312.58 g/mol
Exact Mass310.97
IUPAC Name4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3NO/c15-11-3-4-13(17)10(5-11)8-19-14-6-12(16)2-1-9(14)7-18/h1-6H,8H2
InChIKeyRNPQPJSDNLXEMZ-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

4-chloro-2-[(2-chloro-4-nitrophenyl)methoxy]benzonitrile
CID 114322789
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
2-[2-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460814
4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
4-chloro-2-ethoxybenzonitrile
CID 22721189
4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65317709
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
CID 113277305
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65318301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile (CID 114322743) is 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile is N#Cc1ccc(Cl)cc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The InChIKey is RNPQPJSDNLXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO/c15-11-3-4-13(17)10(5-11)8-19-14-6-12(16)2-1-9(14)7-18/h1-6H,8H2.
What are the key properties of 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile?
4-chloro-2-[(2,5-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 4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 114322743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).