2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene

C13H8Cl3I — CID 103210535

IUPAC2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
SMILESClc1ccc(C(Cl)c2ccc(I)c(Cl)c2)cc1
InChIInChI=1S/C13H8Cl3I/c14-10-4-1-8(2-5-10)13(16)9-3-6-12(17)11(15)7-9/h1-7,13H
InChIKeyDPMKZYNDOZUDNH-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.93
Rot. Bonds2

About 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene

2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene (PubChem CID 103210535) has the molecular formula C13H8Cl3I and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene.

Molecular Properties

Compound Name2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
PubChem CID103210535
Molecular FormulaC13H8Cl3I
Molecular Weight397.47 g/mol
Exact Mass395.87
IUPAC Name2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
SMILESClc1ccc(C(Cl)c2ccc(I)c(Cl)c2)cc1
InChIInChI=1S/C13H8Cl3I/c14-10-4-1-8(2-5-10)13(16)9-3-6-12(17)11(15)7-9/h1-7,13H
InChIKeyDPMKZYNDOZUDNH-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.93
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'}

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Related Compounds

2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene
CID 103210747
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
6-[chloro-(3-chloro-4-iodophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 103210512
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
2-bromo-5-[chloro-(3-chloro-4-iodophenyl)methyl]thiophene
CID 103210763
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
4-[chloro-(4-chlorophenyl)methyl]-2-iodothiophene
CID 79684464
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
1-[chloro-(3-chloro-4-iodophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 103210753
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 103215149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene?
The IUPAC name of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene (CID 103210535) is 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene.
What is the SMILES notation for 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene?
The canonical SMILES for 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene is Clc1ccc(C(Cl)c2ccc(I)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene?
The InChIKey is DPMKZYNDOZUDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3I/c14-10-4-1-8(2-5-10)13(16)9-3-6-12(17)11(15)7-9/h1-7,13H.
What are the key properties of 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene?
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene has a molecular weight of 397.47 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene is sourced from PubChem (CID 103210535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).