1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene

C9H7Cl2IO — CID 79168528

IUPAC1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene
SMILESClC=C(Cl)COc1ccc(I)cc1
InChIInChI=1S/C9H7Cl2IO/c10-5-7(11)6-13-9-3-1-8(12)2-4-9/h1-5H,6H2
InChIKeyOEJSCCZNJQCPEP-UHFFFAOYSA-N
MW328.96 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene

1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene (PubChem CID 79168528) has the molecular formula C9H7Cl2IO and a molecular weight of 328.96 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene
PubChem CID79168528
Molecular FormulaC9H7Cl2IO
Molecular Weight328.96 g/mol
Exact Mass327.89
IUPAC Name1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene
SMILESClC=C(Cl)COc1ccc(I)cc1
InChIInChI=1S/C9H7Cl2IO/c10-5-7(11)6-13-9-3-1-8(12)2-4-9/h1-5H,6H2
InChIKeyOEJSCCZNJQCPEP-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.96
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene?
The IUPAC name of 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene (CID 79168528) is 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene?
The canonical SMILES for 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene is ClC=C(Cl)COc1ccc(I)cc1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene?
The InChIKey is OEJSCCZNJQCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2IO/c10-5-7(11)6-13-9-3-1-8(12)2-4-9/h1-5H,6H2.
What are the key properties of 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene?
1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene has a molecular weight of 328.96 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enoxy)-4-iodobenzene is sourced from PubChem (CID 79168528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).