2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene

C14H11Br2Cl — CID 107991616

IUPAC2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C14H11Br2Cl/c1-9-2-4-10(5-3-9)14(16)11-6-7-13(17)12(15)8-11/h2-8,14H,1H3
InChIKeySAKWSHZSXIHMGH-UHFFFAOYSA-N
MW374.50 g/mol
LogP5.90
Rot. Bonds2

About 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene

2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene (PubChem CID 107991616) has the molecular formula C14H11Br2Cl and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
PubChem CID107991616
Molecular FormulaC14H11Br2Cl
Molecular Weight374.50 g/mol
Exact Mass371.89
IUPAC Name2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)c(Br)c2)cc1
InChIInChI=1S/C14H11Br2Cl/c1-9-2-4-10(5-3-9)14(16)11-6-7-13(17)12(15)8-11/h2-8,14H,1H3
InChIKeySAKWSHZSXIHMGH-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.50
LogP ≤ 55.90
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-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
CID 107991611
2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
CID 107991658
2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
CID 107991605
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
CID 107993341
1-bromo-4-[bromo-(4-methylphenyl)methyl]-2-fluorobenzene
CID 63437045
1-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-2-chlorobenzene
CID 81307063
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene?
The IUPAC name of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene (CID 107991616) is 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene is Cc1ccc(C(Br)c2ccc(Cl)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene?
The InChIKey is SAKWSHZSXIHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl/c1-9-2-4-10(5-3-9)14(16)11-6-7-13(17)12(15)8-11/h2-8,14H,1H3.
What are the key properties of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene?
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene has a molecular weight of 374.50 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene is sourced from PubChem (CID 107991616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).