2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile

C15H11Cl2NO — CID 28888239

IUPAC2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H11Cl2NO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2
InChIKeyIBQHNKCBOXGQSB-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.64
Rot. Bonds4

About 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile

2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile (PubChem CID 28888239) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
PubChem CID28888239
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H11Cl2NO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2
InChIKeyIBQHNKCBOXGQSB-UHFFFAOYSA-N
XLogP4.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3-chloro-2-(chloromethyl)phenoxy]phenyl]acetonitrile
CID 28947069
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
2-[4-[3-chloro-2-(hydroxymethyl)phenoxy]phenyl]acetonitrile
CID 28946031
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile
CID 43289444
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]acetonitrile
CID 43243668
2-[4-[(2,6-dichlorophenyl)methylamino]phenyl]acetonitrile
CID 43231843
2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102974798
2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
CID 18069564

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile (CID 28888239) is 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is IBQHNKCBOXGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2.
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile?
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile has a molecular weight of 292.17 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 28888239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).