2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile

C11H9Cl2NO — CID 106438469

IUPAC2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile
SMILESC/C(=C/Cl)COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c1-8(5-12)7-15-10-3-2-9(6-14)11(13)4-10/h2-5H,7H2,1H3/b8-5-
InChIKeyXZBUMELOZMIIIS-YVMONPNESA-N
MW242.11 g/mol
LogP3.73
Rot. Bonds3

About 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile

2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile (PubChem CID 106438469) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile
PubChem CID106438469
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile
SMILESC/C(=C/Cl)COc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c1-8(5-12)7-15-10-3-2-9(6-14)11(13)4-10/h2-5H,7H2,1H3/b8-5-
InChIKeyXZBUMELOZMIIIS-YVMONPNESA-N
XLogP3.73
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077
2-chloro-4-(3-hydroxy-3-methylbutoxy)benzonitrile
CID 102674649
2-chloro-4-decoxybenzonitrile
CID 102724082
2-chloro-4-(2,2-dimethoxyethoxy)benzonitrile
CID 102724649
2-chloro-4-(2-hydroxy-3,3-dimethylbutoxy)benzonitrile
CID 114265265
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
2-chloro-4-(2-methylbutoxy)benzonitrile
CID 102674615
2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
CID 102674632
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-4-(oxiran-2-ylmethoxy)benzonitrile
CID 87485257

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile (CID 106438469) is 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile is C/C(=C/Cl)COc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile?
The InChIKey is XZBUMELOZMIIIS-YVMONPNESA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-8(5-12)7-15-10-3-2-9(6-14)11(13)4-10/h2-5H,7H2,1H3/b8-5-.
What are the key properties of 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile?
2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile has a molecular weight of 242.11 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile is sourced from PubChem (CID 106438469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).