2-[2-(2-phenylphenoxy)ethoxy]benzonitrile

C21H17NO2 — CID 22685600

IUPAC2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17NO2/c22-16-18-10-4-6-12-20(18)23-14-15-24-21-13-7-5-11-19(21)17-8-2-1-3-9-17/h1-13H,14-15H2
InChIKeyRUUFZIFSYRRMDT-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.68
Rot. Bonds6

About 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile

2-[2-(2-phenylphenoxy)ethoxy]benzonitrile (PubChem CID 22685600) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
PubChem CID22685600
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17NO2/c22-16-18-10-4-6-12-20(18)23-14-15-24-21-13-7-5-11-19(21)17-8-2-1-3-9-17/h1-13H,14-15H2
InChIKeyRUUFZIFSYRRMDT-UHFFFAOYSA-N
XLogP4.68
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.68
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

4-(2-phenylphenoxy)butanenitrile
CID 14751947
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-(5-chloropentoxy)benzonitrile
CID 43348424
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
2-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685251
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[3-[cyclopropyl(methyl)amino]propoxy]benzonitrile
CID 43288957
2-(cyanomethoxy)benzonitrile
CID 4156437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile (CID 22685600) is 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile is N#Cc1ccccc1OCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile?
The InChIKey is RUUFZIFSYRRMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c22-16-18-10-4-6-12-20(18)23-14-15-24-21-13-7-5-11-19(21)17-8-2-1-3-9-17/h1-13H,14-15H2.
What are the key properties of 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile?
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile has a molecular weight of 315.37 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylphenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 22685600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).