2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile

C17H16ClNO2 — CID 43289444

IUPAC2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCCOCc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c18-17-4-2-1-3-15(17)13-20-11-12-21-16-7-5-14(6-8-16)9-10-19/h1-8H,9,11-13H2
InChIKeyZVXFRQXDXLJTPK-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.00
Rot. Bonds7

About 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile

2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile (PubChem CID 43289444) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile
PubChem CID43289444
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCCOCc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c18-17-4-2-1-3-15(17)13-20-11-12-21-16-7-5-14(6-8-16)9-10-19/h1-8H,9,11-13H2
InChIKeyZVXFRQXDXLJTPK-UHFFFAOYSA-N
XLogP4.00
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.00
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-[(2-chlorophenyl)methoxy]ethoxy]benzonitrile
CID 43289452
2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]acetonitrile
CID 43243668
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
2-[4-[2-(4-bromophenoxy)ethoxy]phenyl]acetonitrile
CID 43243666
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
CID 18069564
2-[4-[2-(4-iodophenoxy)ethoxy]phenyl]acetonitrile
CID 43289842
2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]acetonitrile
CID 43243687
2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]acetonitrile
CID 43243670
2-[4-[2-(bromomethyl)-6-chlorophenoxy]phenyl]acetonitrile
CID 114067965
2-[4-[2-(2-methylsulfanylphenoxy)ethoxy]phenyl]acetonitrile
CID 63647471
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile (CID 43289444) is 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile is N#CCc1ccc(OCCOCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile?
The InChIKey is ZVXFRQXDXLJTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-17-4-2-1-3-15(17)13-20-11-12-21-16-7-5-14(6-8-16)9-10-19/h1-8H,9,11-13H2.
What are the key properties of 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile?
2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile has a molecular weight of 301.77 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 43289444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).