1-iodo-4-[(4-iodophenoxy)methyl]benzene

C13H10I2O — CID 65479234

IUPAC1-iodo-4-[(4-iodophenoxy)methyl]benzene
SMILESIc1ccc(COc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10I2O/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyKTTSRRHPLHQQDB-UHFFFAOYSA-N
MW436.03 g/mol
LogP4.47
Rot. Bonds3

About 1-iodo-4-[(4-iodophenoxy)methyl]benzene

1-iodo-4-[(4-iodophenoxy)methyl]benzene (PubChem CID 65479234) has the molecular formula C13H10I2O and a molecular weight of 436.03 g/mol. Its IUPAC name is 1-iodo-4-[(4-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(4-iodophenoxy)methyl]benzene
PubChem CID65479234
Molecular FormulaC13H10I2O
Molecular Weight436.03 g/mol
Exact Mass435.88
IUPAC Name1-iodo-4-[(4-iodophenoxy)methyl]benzene
SMILESIc1ccc(COc2ccc(I)cc2)cc1
InChIInChI=1S/C13H10I2O/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyKTTSRRHPLHQQDB-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.03
LogP ≤ 54.47
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-iodo-4-[(4-iodophenoxy)methyl]benzene?
The IUPAC name of 1-iodo-4-[(4-iodophenoxy)methyl]benzene (CID 65479234) is 1-iodo-4-[(4-iodophenoxy)methyl]benzene.
What is the SMILES notation for 1-iodo-4-[(4-iodophenoxy)methyl]benzene?
The canonical SMILES for 1-iodo-4-[(4-iodophenoxy)methyl]benzene is Ic1ccc(COc2ccc(I)cc2)cc1.
What is the InChIKey of 1-iodo-4-[(4-iodophenoxy)methyl]benzene?
The InChIKey is KTTSRRHPLHQQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10I2O/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2.
What are the key properties of 1-iodo-4-[(4-iodophenoxy)methyl]benzene?
1-iodo-4-[(4-iodophenoxy)methyl]benzene has a molecular weight of 436.03 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(4-iodophenoxy)methyl]benzene is sourced from PubChem (CID 65479234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).