1-chloro-4-[(4-iodophenyl)methoxy]benzene

C13H10ClIO — CID 65489731

IUPAC1-chloro-4-[(4-iodophenyl)methoxy]benzene
SMILESClc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10ClIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyAKWYXXPBRXGLJT-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.52
Rot. Bonds3

About 1-chloro-4-[(4-iodophenyl)methoxy]benzene

1-chloro-4-[(4-iodophenyl)methoxy]benzene (PubChem CID 65489731) has the molecular formula C13H10ClIO and a molecular weight of 344.58 g/mol. Its IUPAC name is 1-chloro-4-[(4-iodophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-iodophenyl)methoxy]benzene
PubChem CID65489731
Molecular FormulaC13H10ClIO
Molecular Weight344.58 g/mol
Exact Mass343.95
IUPAC Name1-chloro-4-[(4-iodophenyl)methoxy]benzene
SMILESClc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10ClIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
InChIKeyAKWYXXPBRXGLJT-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-4-[(4-iodophenyl)methoxy]benzene 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-chloro-4-[(4-iodophenyl)methoxy]benzene?
The IUPAC name of 1-chloro-4-[(4-iodophenyl)methoxy]benzene (CID 65489731) is 1-chloro-4-[(4-iodophenyl)methoxy]benzene.
What is the SMILES notation for 1-chloro-4-[(4-iodophenyl)methoxy]benzene?
The canonical SMILES for 1-chloro-4-[(4-iodophenyl)methoxy]benzene is Clc1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(4-iodophenyl)methoxy]benzene?
The InChIKey is AKWYXXPBRXGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2.
What are the key properties of 1-chloro-4-[(4-iodophenyl)methoxy]benzene?
1-chloro-4-[(4-iodophenyl)methoxy]benzene has a molecular weight of 344.58 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-iodophenyl)methoxy]benzene is sourced from PubChem (CID 65489731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).