4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile

C15H9Cl2NO2 — CID 7818712

IUPAC4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H9Cl2NO2/c16-11-3-6-13(14(17)7-11)15(19)9-20-12-4-1-10(8-18)2-5-12/h1-7H,9H2
InChIKeyMOZULTNWSXMZOB-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.13
Rot. Bonds4

About 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile

4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile (PubChem CID 7818712) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
PubChem CID7818712
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H9Cl2NO2/c16-11-3-6-13(14(17)7-11)15(19)9-20-12-4-1-10(8-18)2-5-12/h1-7H,9H2
InChIKeyMOZULTNWSXMZOB-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-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024
2-(4-bromo-3-methylphenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 83140733
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19645200
2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55584400

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile (CID 7818712) is 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile is N#Cc1ccc(OCC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile?
The InChIKey is MOZULTNWSXMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-11-3-6-13(14(17)7-11)15(19)9-20-12-4-1-10(8-18)2-5-12/h1-7H,9H2.
What are the key properties of 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile?
4-[2-(2,4-dichlorophenyl)-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 4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 7818712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).