2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile

C15H9Cl2NO2 — CID 114323687

IUPAC2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2NO2/c16-11-6-4-10(5-7-11)14(19)9-20-15-3-1-2-13(17)12(15)8-18/h1-7H,9H2
InChIKeyAFCNCQHSHKFNNK-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.13
Rot. Bonds4

About 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile

2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile (PubChem CID 114323687) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
PubChem CID114323687
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl2NO2/c16-11-6-4-10(5-7-11)14(19)9-20-15-3-1-2-13(17)12(15)8-18/h1-7H,9H2
InChIKeyAFCNCQHSHKFNNK-UHFFFAOYSA-N
XLogP4.13
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[2-(4-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323689
2-chloro-6-phenacyloxybenzonitrile
CID 113277419
2-chloro-6-[2-(3,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 114323709
2-chloro-6-[2-(2-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323691
2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide
CID 79031984
2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
CID 62033638
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-(3-chloro-2-cyanophenoxy)-N-ethyl-N-methylacetamide
CID 79035646
3-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methylbenzonitrile
CID 103760383
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile (CID 114323687) is 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile is N#Cc1c(Cl)cccc1OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile?
The InChIKey is AFCNCQHSHKFNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-11-6-4-10(5-7-11)14(19)9-20-15-3-1-2-13(17)12(15)8-18/h1-7H,9H2.
What are the key properties of 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile?
2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile has a molecular weight of 306.15 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 114323687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).