1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene

C14H9Br3Cl2 — CID 81474218

IUPAC1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H9Br3Cl2/c1-7-4-12(16)10(6-11(7)15)14(17)9-3-2-8(18)5-13(9)19/h2-6,14H,1H3
InChIKeyNNACXXZMFPDAFJ-UHFFFAOYSA-N
MW487.84 g/mol
LogP7.31
Rot. Bonds2

About 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene

1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene (PubChem CID 81474218) has the molecular formula C14H9Br3Cl2 and a molecular weight of 487.84 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
PubChem CID81474218
Molecular FormulaC14H9Br3Cl2
Molecular Weight487.84 g/mol
Exact Mass483.76
IUPAC Name1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H9Br3Cl2/c1-7-4-12(16)10(6-11(7)15)14(17)9-3-2-8(18)5-13(9)19/h2-6,14H,1H3
InChIKeyNNACXXZMFPDAFJ-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.84
LogP ≤ 57.31
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

1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
1-bromo-4-[bromo-(2,4-dichlorophenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400009
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
CID 63444213
1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
CID 114020889
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
1,4-dibromo-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-methylbenzene
CID 81473241
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
CID 81324147

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene (CID 81474218) is 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene is Cc1cc(Br)c(C(Br)c2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene?
The InChIKey is NNACXXZMFPDAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3Cl2/c1-7-4-12(16)10(6-11(7)15)14(17)9-3-2-8(18)5-13(9)19/h2-6,14H,1H3.
What are the key properties of 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene?
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene has a molecular weight of 487.84 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene is sourced from PubChem (CID 81474218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).