4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene

C13H9BrClIO — CID 65490138

IUPAC4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
SMILESClc1cc(Br)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C13H9BrClIO/c14-10-3-6-13(12(15)7-10)17-8-9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeyFAHPMAHEOAKDDQ-UHFFFAOYSA-N
MW423.48 g/mol
LogP5.29
Rot. Bonds3

About 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene

4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene (PubChem CID 65490138) has the molecular formula C13H9BrClIO and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
PubChem CID65490138
Molecular FormulaC13H9BrClIO
Molecular Weight423.48 g/mol
Exact Mass421.86
IUPAC Name4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
SMILESClc1cc(Br)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C13H9BrClIO/c14-10-3-6-13(12(15)7-10)17-8-9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeyFAHPMAHEOAKDDQ-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloro-1-[(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

Related Compounds

4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
CID 22503230
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
CID 55219495
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
(E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoyl chloride
CID 91684850
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]aniline
CID 60791838
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene (CID 65490138) is 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene is Clc1cc(Br)ccc1OCc1ccc(I)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene?
The InChIKey is FAHPMAHEOAKDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClIO/c14-10-3-6-13(12(15)7-10)17-8-9-1-4-11(16)5-2-9/h1-7H,8H2.
What are the key properties of 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene?
4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene has a molecular weight of 423.48 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene is sourced from PubChem (CID 65490138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).