5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile

C15H10Cl3NO2 — CID 22682686

IUPAC5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO2/c16-11-1-3-14(10(7-11)9-19)20-5-6-21-15-4-2-12(17)8-13(15)18/h1-4,7-8H,5-6H2
InChIKeyFESRQNXUTTUUPQ-UHFFFAOYSA-N
MW342.61 g/mol
LogP4.98
Rot. Bonds5

About 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile

5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile (PubChem CID 22682686) has the molecular formula C15H10Cl3NO2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
PubChem CID22682686
Molecular FormulaC15H10Cl3NO2
Molecular Weight342.61 g/mol
Exact Mass340.98
IUPAC Name5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cc(Cl)ccc1OCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO2/c16-11-1-3-14(10(7-11)9-19)20-5-6-21-15-4-2-12(17)8-13(15)18/h1-4,7-8H,5-6H2
InChIKeyFESRQNXUTTUUPQ-UHFFFAOYSA-N
XLogP4.98
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.61
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropoxy)-5-chlorobenzonitrile
CID 62493723
5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483
5-chloro-2-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 22682440
5-chloro-2-[2-(diethylamino)ethoxy]benzonitrile
CID 22685106
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934
5-chloro-2-(furan-2-ylmethoxy)benzonitrile
CID 22661920
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
2-cyano-5-[(2,4-dichlorophenoxy)methyl]benzoic acid
CID 155153991
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
4-chloro-2-pentoxybenzonitrile
CID 63094612
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile?
The IUPAC name of 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile (CID 22682686) is 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile?
The canonical SMILES for 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile is N#Cc1cc(Cl)ccc1OCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile?
The InChIKey is FESRQNXUTTUUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO2/c16-11-1-3-14(10(7-11)9-19)20-5-6-21-15-4-2-12(17)8-13(15)18/h1-4,7-8H,5-6H2.
What are the key properties of 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile?
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile has a molecular weight of 342.61 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 22682686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).