2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile

C19H13Cl2NO2 — CID 19004507

IUPAC2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile
SMILESN#Cc1c(Cl)cc(OCCOc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C19H13Cl2NO2/c20-18-10-16(11-19(21)17(18)12-22)24-8-7-23-15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-11H,7-8H2
InChIKeyNQJDUCYXTXNXLI-UHFFFAOYSA-N
MW358.22 g/mol
LogP5.48
Rot. Bonds5

About 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile

2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile (PubChem CID 19004507) has the molecular formula C19H13Cl2NO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile.

Molecular Properties

Compound Name2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile
PubChem CID19004507
Molecular FormulaC19H13Cl2NO2
Molecular Weight358.22 g/mol
Exact Mass357.03
IUPAC Name2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile
SMILESN#Cc1c(Cl)cc(OCCOc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C19H13Cl2NO2/c20-18-10-16(11-19(21)17(18)12-22)24-8-7-23-15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-11H,7-8H2
InChIKeyNQJDUCYXTXNXLI-UHFFFAOYSA-N
XLogP5.48
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-2-yloxyethyl formate
CID 54350487
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20992748
2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
2-[2-(3,4-dimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 22685831
2-[3,5-dichloro-4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
CID 19004330
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831
[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 22687111
2-methyl-4-naphthalen-2-yloxy-2-phenylbutanenitrile
CID 82138838
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-(9-bromononoxy)naphthalene
CID 105343234

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile?
The IUPAC name of 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile (CID 19004507) is 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile.
What is the SMILES notation for 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile?
The canonical SMILES for 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile is N#Cc1c(Cl)cc(OCCOc2ccc3ccccc3c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile?
The InChIKey is NQJDUCYXTXNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO2/c20-18-10-16(11-19(21)17(18)12-22)24-8-7-23-15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-11H,7-8H2.
What are the key properties of 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile?
2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile has a molecular weight of 358.22 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile is sourced from PubChem (CID 19004507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).