1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene

C14H10BrCl2I — CID 114026446

IUPAC1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene
SMILESClc1cccc(CC(Cl)c2cc(I)ccc2Br)c1
InChIInChI=1S/C14H10BrCl2I/c15-13-5-4-11(18)8-12(13)14(17)7-9-2-1-3-10(16)6-9/h1-6,8,14H,7H2
InChIKeyHEMZKZRNBLQATP-UHFFFAOYSA-N
MW455.95 g/mol
LogP6.23
Rot. Bonds3

About 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene

1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene (PubChem CID 114026446) has the molecular formula C14H10BrCl2I and a molecular weight of 455.95 g/mol. Its IUPAC name is 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene.

Molecular Properties

Compound Name1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene
PubChem CID114026446
Molecular FormulaC14H10BrCl2I
Molecular Weight455.95 g/mol
Exact Mass453.84
IUPAC Name1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene
SMILESClc1cccc(CC(Cl)c2cc(I)ccc2Br)c1
InChIInChI=1S/C14H10BrCl2I/c15-13-5-4-11(18)8-12(13)14(17)7-9-2-1-3-10(16)6-9/h1-6,8,14H,7H2
InChIKeyHEMZKZRNBLQATP-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 56.23
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-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
3-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 63799658
2-bromo-N-[(3-chlorophenyl)methyl]-5-iodoaniline
CID 114258893
3-bromo-2-chloro-5-[1-chloro-2-(3-chlorophenyl)ethyl]thiophene
CID 102836654
[1-(2-bromo-5-chlorophenyl)-2-(3-chlorophenyl)ethyl]hydrazine
CID 114027293
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
1-bromo-2-[1-chloro-3-(3-chlorophenyl)propan-2-yl]benzene
CID 79454332
2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543581
1-chloro-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432908

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene?
The IUPAC name of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene (CID 114026446) is 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene.
What is the SMILES notation for 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene?
The canonical SMILES for 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene is Clc1cccc(CC(Cl)c2cc(I)ccc2Br)c1.
What is the InChIKey of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene?
The InChIKey is HEMZKZRNBLQATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2I/c15-13-5-4-11(18)8-12(13)14(17)7-9-2-1-3-10(16)6-9/h1-6,8,14H,7H2.
What are the key properties of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene?
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene has a molecular weight of 455.95 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene is sourced from PubChem (CID 114026446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).