2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile

C16H11Cl2NO2 — CID 60624229

IUPAC2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H11Cl2NO2/c17-12-3-6-14(15(18)9-12)16(20)10-21-13-4-1-11(2-5-13)7-8-19/h1-6,9H,7,10H2
InChIKeyGJODOTYKNWFXSY-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.32
Rot. Bonds5

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

2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile (PubChem CID 60624229) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
PubChem CID60624229
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H11Cl2NO2/c17-12-3-6-14(15(18)9-12)16(20)10-21-13-4-1-11(2-5-13)7-8-19/h1-6,9H,7,10H2
InChIKeyGJODOTYKNWFXSY-UHFFFAOYSA-N
XLogP4.32
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]acetonitrile
CID 43243668
4-(2,4-dichlorophenyl)-4-oxobutanenitrile
CID 43608235
3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19645200
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
2-[4-[2-(furan-2-yl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624197
2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102974798
1-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)ethanone
CID 60625571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile (CID 60624229) is 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile is N#CCc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile?
The InChIKey is GJODOTYKNWFXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-12-3-6-14(15(18)9-12)16(20)10-21-13-4-1-11(2-5-13)7-8-19/h1-6,9H,7,10H2.
What are the key properties of 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile?
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile has a molecular weight of 320.18 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile is sourced from PubChem (CID 60624229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).