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

C14H11BrCl2 — CID 63437373

IUPAC1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
SMILESClc1ccc(C(Br)Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H11BrCl2/c15-13(10-5-7-12(16)8-6-10)9-11-3-1-2-4-14(11)17/h1-8,13H,9H2
InChIKeyHPHOHIZFOGHNHR-UHFFFAOYSA-N
MW330.05 g/mol
LogP5.67
Rot. Bonds3

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

1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene (PubChem CID 63437373) has the molecular formula C14H11BrCl2 and a molecular weight of 330.05 g/mol. Its IUPAC name is 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
PubChem CID63437373
Molecular FormulaC14H11BrCl2
Molecular Weight330.05 g/mol
Exact Mass327.94
IUPAC Name1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
SMILESClc1ccc(C(Br)Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H11BrCl2/c15-13(10-5-7-12(16)8-6-10)9-11-3-1-2-4-14(11)17/h1-8,13H,9H2
InChIKeyHPHOHIZFOGHNHR-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.05
LogP ≤ 55.67
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-chlorophenyl)ethyl]naphthalene
CID 63543264
1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
CID 81307609
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 19073641
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
6-[1-bromo-2-(2-chlorophenyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 61097559
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
CID 65152060

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene?
The IUPAC name of 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene (CID 63437373) is 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene is Clc1ccc(C(Br)Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene?
The InChIKey is HPHOHIZFOGHNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2/c15-13(10-5-7-12(16)8-6-10)9-11-3-1-2-4-14(11)17/h1-8,13H,9H2.
What are the key properties of 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene?
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene has a molecular weight of 330.05 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene is sourced from PubChem (CID 63437373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).