1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene

C8H5Cl2I — CID 166064052

IUPAC1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
SMILESCl/C(=C/I)c1ccc(Cl)cc1
InChIInChI=1S/C8H5Cl2I/c9-7-3-1-6(2-4-7)8(10)5-11/h1-5H/b8-5+
InChIKeySGPABORXNALICV-VMPITWQZSA-N
MW298.94 g/mol
LogP4.31
Rot. Bonds1

About 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene

1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene (PubChem CID 166064052) has the molecular formula C8H5Cl2I and a molecular weight of 298.94 g/mol. Its IUPAC name is 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
PubChem CID166064052
Molecular FormulaC8H5Cl2I
Molecular Weight298.94 g/mol
Exact Mass297.88
IUPAC Name1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
SMILESCl/C(=C/I)c1ccc(Cl)cc1
InChIInChI=1S/C8H5Cl2I/c9-7-3-1-6(2-4-7)8(10)5-11/h1-5H/b8-5+
InChIKeySGPABORXNALICV-VMPITWQZSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.94
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 12881547
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1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1-chloro-4-[(1E)-1-chloropenta-1,4-dienyl]benzene
CID 125476058
4-(4-chlorophenyl)benzoyl iodide
CID 90184448
3-chloro-1-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57006264
2-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]propanedinitrile
CID 5473313
4-chloro(13C)benzoic acid
CID 66995527
1-chloro-4-[(Z)-1-iodoprop-1-enyl]benzene
CID 154712209
1-[(E)-2-bromo-1-chloro-2-iodoethenyl]-4-chlorobenzene
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1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288
[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 135052899

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene (CID 166064052) is 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene is Cl/C(=C/I)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene?
The InChIKey is SGPABORXNALICV-VMPITWQZSA-N. The full InChI is InChI=1S/C8H5Cl2I/c9-7-3-1-6(2-4-7)8(10)5-11/h1-5H/b8-5+.
What are the key properties of 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene?
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene has a molecular weight of 298.94 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene is sourced from PubChem (CID 166064052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).