2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene

C14H10BrCl3 — CID 63543588

IUPAC2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
SMILESClc1ccccc1CC(Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10BrCl3/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2
InChIKeyKQSRTGXSJLMYAY-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.33
Rot. Bonds3

About 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene (PubChem CID 63543588) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
PubChem CID63543588
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
SMILESClc1ccccc1CC(Br)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10BrCl3/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2
InChIKeyKQSRTGXSJLMYAY-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
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

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
CID 65152060
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63445154
1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
CID 81307609
2-[2-bromo-2-(2,6-dichlorophenyl)ethyl]naphthalene
CID 63542887
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323
3-bromo-4-(2-chlorophenyl)butan-2-one
CID 62395500
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene
CID 66042144
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene (CID 63543588) is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene is Clc1ccccc1CC(Br)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene?
The InChIKey is KQSRTGXSJLMYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2.
What are the key properties of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene?
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene has a molecular weight of 364.50 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene is sourced from PubChem (CID 63543588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).