1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene

C14H10Br2Cl2 — CID 81307609

IUPAC1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
SMILESClc1cc(C(Br)Cc2ccccc2Cl)ccc1Br
InChIInChI=1S/C14H10Br2Cl2/c15-11-6-5-9(8-14(11)18)12(16)7-10-3-1-2-4-13(10)17/h1-6,8,12H,7H2
InChIKeyOVQKCRMSKDQLKD-UHFFFAOYSA-N
MW408.95 g/mol
LogP6.43
Rot. Bonds3

About 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene

1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene (PubChem CID 81307609) has the molecular formula C14H10Br2Cl2 and a molecular weight of 408.95 g/mol. Its IUPAC name is 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
PubChem CID81307609
Molecular FormulaC14H10Br2Cl2
Molecular Weight408.95 g/mol
Exact Mass405.85
IUPAC Name1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
SMILESClc1cc(C(Br)Cc2ccccc2Cl)ccc1Br
InChIInChI=1S/C14H10Br2Cl2/c15-11-6-5-9(8-14(11)18)12(16)7-10-3-1-2-4-13(10)17/h1-6,8,12H,7H2
InChIKeyOVQKCRMSKDQLKD-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.95
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63445154
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
CID 81308421
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
6-[1-bromo-2-(2-chlorophenyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 61097559
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene?
The IUPAC name of 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene (CID 81307609) is 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene.
What is the SMILES notation for 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene?
The canonical SMILES for 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene is Clc1cc(C(Br)Cc2ccccc2Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene?
The InChIKey is OVQKCRMSKDQLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2/c15-11-6-5-9(8-14(11)18)12(16)7-10-3-1-2-4-13(10)17/h1-6,8,12H,7H2.
What are the key properties of 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene?
1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene has a molecular weight of 408.95 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene is sourced from PubChem (CID 81307609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).