1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene

C8H5Cl2IO — CID 135075414

IUPAC1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene
SMILESCl/C=C(\Cl)Oc1ccccc1I
InChIInChI=1S/C8H5Cl2IO/c9-5-8(10)12-7-4-2-1-3-6(7)11/h1-5H/b8-5+
InChIKeyWKAMUBUDBMHMTP-VMPITWQZSA-N
MW314.94 g/mol
LogP3.95
Rot. Bonds2

About 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene

1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene (PubChem CID 135075414) has the molecular formula C8H5Cl2IO and a molecular weight of 314.94 g/mol. Its IUPAC name is 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene.

Molecular Properties

Compound Name1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene
PubChem CID135075414
Molecular FormulaC8H5Cl2IO
Molecular Weight314.94 g/mol
Exact Mass313.88
IUPAC Name1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene
SMILESCl/C=C(\Cl)Oc1ccccc1I
InChIInChI=1S/C8H5Cl2IO/c9-5-8(10)12-7-4-2-1-3-6(7)11/h1-5H/b8-5+
InChIKeyWKAMUBUDBMHMTP-VMPITWQZSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.94
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene?
The IUPAC name of 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene (CID 135075414) is 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene.
What is the SMILES notation for 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene?
The canonical SMILES for 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene is Cl/C=C(\Cl)Oc1ccccc1I.
What is the InChIKey of 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene?
The InChIKey is WKAMUBUDBMHMTP-VMPITWQZSA-N. The full InChI is InChI=1S/C8H5Cl2IO/c9-5-8(10)12-7-4-2-1-3-6(7)11/h1-5H/b8-5+.
What are the key properties of 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene?
1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene has a molecular weight of 314.94 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-dichloroethenoxy]-2-iodobenzene is sourced from PubChem (CID 135075414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).