1,4-bis(chloromethyl)-2-iodobenzene

C8H7Cl2I — CID 134821742

IUPAC1,4-bis(chloromethyl)-2-iodobenzene
SMILESClCc1ccc(CCl)c(I)c1
InChIInChI=1S/C8H7Cl2I/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
InChIKeyBGNYJLBGIHZLAG-UHFFFAOYSA-N
MW300.95 g/mol
LogP3.77
Rot. Bonds2

About 1,4-bis(chloromethyl)-2-iodobenzene

1,4-bis(chloromethyl)-2-iodobenzene (PubChem CID 134821742) has the molecular formula C8H7Cl2I and a molecular weight of 300.95 g/mol. Its IUPAC name is 1,4-bis(chloromethyl)-2-iodobenzene.

Molecular Properties

Compound Name1,4-bis(chloromethyl)-2-iodobenzene
PubChem CID134821742
Molecular FormulaC8H7Cl2I
Molecular Weight300.95 g/mol
Exact Mass299.90
IUPAC Name1,4-bis(chloromethyl)-2-iodobenzene
SMILESClCc1ccc(CCl)c(I)c1
InChIInChI=1S/C8H7Cl2I/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
InChIKeyBGNYJLBGIHZLAG-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.95
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-bis(chloromethyl)-2-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(chloromethyl)-2-iodobenzene?
The IUPAC name of 1,4-bis(chloromethyl)-2-iodobenzene (CID 134821742) is 1,4-bis(chloromethyl)-2-iodobenzene.
What is the SMILES notation for 1,4-bis(chloromethyl)-2-iodobenzene?
The canonical SMILES for 1,4-bis(chloromethyl)-2-iodobenzene is ClCc1ccc(CCl)c(I)c1.
What is the InChIKey of 1,4-bis(chloromethyl)-2-iodobenzene?
The InChIKey is BGNYJLBGIHZLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2I/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2.
What are the key properties of 1,4-bis(chloromethyl)-2-iodobenzene?
1,4-bis(chloromethyl)-2-iodobenzene has a molecular weight of 300.95 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(chloromethyl)-2-iodobenzene is sourced from PubChem (CID 134821742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).