2-(3,4-dichlorophenoxy)benzonitrile

C13H7Cl2NO — CID 514863

IUPAC2-(3,4-dichlorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H
InChIKeyRUHGJWKIGJKQEW-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.66
Rot. Bonds2

About 2-(3,4-dichlorophenoxy)benzonitrile

2-(3,4-dichlorophenoxy)benzonitrile (PubChem CID 514863) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)benzonitrile
PubChem CID514863
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name2-(3,4-dichlorophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H
InChIKeyRUHGJWKIGJKQEW-UHFFFAOYSA-N
XLogP4.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)benzonitrile?
The IUPAC name of 2-(3,4-dichlorophenoxy)benzonitrile (CID 514863) is 2-(3,4-dichlorophenoxy)benzonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)benzonitrile?
The canonical SMILES for 2-(3,4-dichlorophenoxy)benzonitrile is N#Cc1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)benzonitrile?
The InChIKey is RUHGJWKIGJKQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7H.
What are the key properties of 2-(3,4-dichlorophenoxy)benzonitrile?
2-(3,4-dichlorophenoxy)benzonitrile has a molecular weight of 264.11 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)benzonitrile is sourced from PubChem (CID 514863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).