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

C14H10BrCl3 — CID 81307607

IUPAC1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
SMILESClc1cc(C(Cl)Cc2ccccc2Cl)ccc1Br
InChIInChI=1S/C14H10BrCl3/c15-11-6-5-10(8-14(11)18)13(17)7-9-3-1-2-4-12(9)16/h1-6,8,13H,7H2
InChIKeyNOCUCEZTFGBRHN-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.28
Rot. Bonds3

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

1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene (PubChem CID 81307607) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
PubChem CID81307607
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
SMILESClc1cc(C(Cl)Cc2ccccc2Cl)ccc1Br
InChIInChI=1S/C14H10BrCl3/c15-11-6-5-10(8-14(11)18)13(17)7-9-3-1-2-4-12(9)16/h1-6,8,13H,7H2
InChIKeyNOCUCEZTFGBRHN-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.28
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

1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
CID 81307609
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085374
1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 113403140
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63445154
1-bromo-2-chloro-4-[1-chloro-2-(3-methoxyphenyl)ethyl]benzene
CID 81307279
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
CID 63519326
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene (CID 81307607) is 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene is Clc1cc(C(Cl)Cc2ccccc2Cl)ccc1Br.
What is the InChIKey of 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
The InChIKey is NOCUCEZTFGBRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c15-11-6-5-10(8-14(11)18)13(17)7-9-3-1-2-4-12(9)16/h1-6,8,13H,7H2.
What are the key properties of 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene has a molecular weight of 364.50 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 81307607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).