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

C14H11BrClI — CID 63520066

IUPAC1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
SMILESClC(Cc1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H11BrClI/c15-12-5-1-10(2-6-12)9-14(16)11-3-7-13(17)8-4-11/h1-8,14H,9H2
InChIKeyUIEOHXQMUNXPBF-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.58
Rot. Bonds3

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

1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene (PubChem CID 63520066) has the molecular formula C14H11BrClI and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
PubChem CID63520066
Molecular FormulaC14H11BrClI
Molecular Weight421.50 g/mol
Exact Mass419.88
IUPAC Name1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
SMILESClC(Cc1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H11BrClI/c15-12-5-1-10(2-6-12)9-14(16)11-3-7-13(17)8-4-11/h1-8,14H,9H2
InChIKeyUIEOHXQMUNXPBF-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.58
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

1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
CID 55224826
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
[1-(4-bromophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105192389
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 107965739
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
4-[2-(4-bromophenyl)-1-chloroethyl]-1-methoxy-2-methylbenzene
CID 63434623
2-(4-bromophenyl)-3-(4-iodophenyl)-N-propylpropan-1-amine
CID 79431636
1-bromo-4-(1-chloropropyl)benzene
CID 43114960
1-bromo-3-[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 63430706
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-iodobenzene
CID 63543126

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene?
The IUPAC name of 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene (CID 63520066) is 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene is ClC(Cc1ccc(Br)cc1)c1ccc(I)cc1.
What is the InChIKey of 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene?
The InChIKey is UIEOHXQMUNXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClI/c15-12-5-1-10(2-6-12)9-14(16)11-3-7-13(17)8-4-11/h1-8,14H,9H2.
What are the key properties of 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene?
1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene has a molecular weight of 421.50 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene is sourced from PubChem (CID 63520066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).