3-[2-(3-chlorophenoxy)ethoxy]benzonitrile

C15H12ClNO2 — CID 43213521

IUPAC3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCOc2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClNO2/c16-13-4-2-6-15(10-13)19-8-7-18-14-5-1-3-12(9-14)11-17/h1-6,9-10H,7-8H2
InChIKeyXYFXSUQBYRNHIY-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.67
Rot. Bonds5

About 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile

3-[2-(3-chlorophenoxy)ethoxy]benzonitrile (PubChem CID 43213521) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
PubChem CID43213521
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCOc2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClNO2/c16-13-4-2-6-15(10-13)19-8-7-18-14-5-1-3-12(9-14)11-17/h1-6,9-10H,7-8H2
InChIKeyXYFXSUQBYRNHIY-UHFFFAOYSA-N
XLogP3.67
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.67
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

3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-[2-(4-chloro-3-ethylphenoxy)ethoxy]benzonitrile
CID 43289881
3-(2-ethenoxyethoxy)benzonitrile
CID 66734813
3-[2-[(2-chlorophenyl)methoxy]ethoxy]benzonitrile
CID 43289452
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
3-(6-bromohexoxy)benzonitrile
CID 13450889
3-[2-(2,4,6-triiodophenoxy)ethoxy]benzonitrile
CID 63514562
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
3-[2-(2-propan-2-ylphenoxy)ethoxy]benzonitrile
CID 22681824
3-[3-(4-chloro-2-nitrophenoxy)propoxy]benzonitrile
CID 112824321

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile (CID 43213521) is 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile is N#Cc1cccc(OCCOc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile?
The InChIKey is XYFXSUQBYRNHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-13-4-2-6-15(10-13)19-8-7-18-14-5-1-3-12(9-14)11-17/h1-6,9-10H,7-8H2.
What are the key properties of 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile?
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 43213521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).