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

C15H13BrCl2 — CID 113397323

IUPAC4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
SMILESCc1cc(C(Br)Cc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2/c1-10-8-11(6-7-14(10)17)13(16)9-12-4-2-3-5-15(12)18/h2-8,13H,9H2,1H3
InChIKeyYYYHCPGZCHYCLY-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.98
Rot. Bonds3

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

4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene (PubChem CID 113397323) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
PubChem CID113397323
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
SMILESCc1cc(C(Br)Cc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C15H13BrCl2/c1-10-8-11(6-7-14(10)17)13(16)9-12-4-2-3-5-15(12)18/h2-8,13H,9H2,1H3
InChIKeyYYYHCPGZCHYCLY-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
CID 83972767
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
6-[1-bromo-2-(2-chlorophenyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 61097559
3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
CID 65152060
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene?
The IUPAC name of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene (CID 113397323) is 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene.
What is the SMILES notation for 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene?
The canonical SMILES for 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene is Cc1cc(C(Br)Cc2ccccc2Cl)ccc1Cl.
What is the InChIKey of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene?
The InChIKey is YYYHCPGZCHYCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-10-8-11(6-7-14(10)17)13(16)9-12-4-2-3-5-15(12)18/h2-8,13H,9H2,1H3.
What are the key properties of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene?
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene has a molecular weight of 344.08 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene is sourced from PubChem (CID 113397323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).