2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile

C24H12Cl2N2O2 — CID 58559891

IUPAC2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc2cc(Oc3cccc(Cl)c3C#N)ccc2c1
InChIInChI=1S/C24H12Cl2N2O2/c25-21-3-1-5-23(19(21)13-27)29-17-9-7-16-12-18(10-8-15(16)11-17)30-24-6-2-4-22(26)20(24)14-28/h1-12H
InChIKeyGBZTUMLRKZJBLP-UHFFFAOYSA-N
MW431.28 g/mol
LogP7.47
Rot. Bonds4

About 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile

2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile (PubChem CID 58559891) has the molecular formula C24H12Cl2N2O2 and a molecular weight of 431.28 g/mol. Its IUPAC name is 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
PubChem CID58559891
Molecular FormulaC24H12Cl2N2O2
Molecular Weight431.28 g/mol
Exact Mass430.03
IUPAC Name2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc2cc(Oc3cccc(Cl)c3C#N)ccc2c1
InChIInChI=1S/C24H12Cl2N2O2/c25-21-3-1-5-23(19(21)13-27)29-17-9-7-16-12-18(10-8-15(16)11-17)30-24-6-2-4-22(26)20(24)14-28/h1-12H
InChIKeyGBZTUMLRKZJBLP-UHFFFAOYSA-N
XLogP7.47
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.28
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(4-iodophenoxy)benzonitrile
CID 60701773
2-(4-bromo-3-methylphenoxy)-6-chlorobenzonitrile
CID 83133521
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
CID 62495723
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-bromo-6-naphthalen-2-yloxybenzonitrile
CID 114881557
4-(3-chloro-2-cyanophenoxy)benzenesulfinic acid
CID 152770514
2-chloro-6-(4-propoxyphenoxy)benzonitrile
CID 63512370
2-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]phenoxy]-6-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylphenoxy]benzonitrile
CID 21062512
2-[4-(3-chloro-2-cyanophenoxy)phenoxy]-5-[4-[4-(3-chloro-2-cyanophenoxy)phenoxy]-3-sulfophenyl]sulfonylbenzenesulfonic acid
CID 90192191
2-chloro-6-[3-(difluoromethoxy)-4-nitrophenoxy]benzonitrile
CID 133428157
2-chloro-6-(2,4-dibromophenoxy)benzonitrile
CID 60678698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile?
The IUPAC name of 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile (CID 58559891) is 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile.
What is the SMILES notation for 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile?
The canonical SMILES for 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile is N#Cc1c(Cl)cccc1Oc1ccc2cc(Oc3cccc(Cl)c3C#N)ccc2c1.
What is the InChIKey of 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile?
The InChIKey is GBZTUMLRKZJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl2N2O2/c25-21-3-1-5-23(19(21)13-27)29-17-9-7-16-12-18(10-8-15(16)11-17)30-24-6-2-4-22(26)20(24)14-28/h1-12H.
What are the key properties of 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile?
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile has a molecular weight of 431.28 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile is sourced from PubChem (CID 58559891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).