1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene

C15H12Br2Cl2 — CID 107959104

IUPAC1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Br)c2cc(Cl)cc(Br)c2)cc1C
InChIInChI=1S/C15H12Br2Cl2/c1-8-3-13(14(19)4-9(8)2)15(17)10-5-11(16)7-12(18)6-10/h3-7,15H,1-2H3
InChIKeyLWNVOMQSKJRKLM-UHFFFAOYSA-N
MW422.98 g/mol
LogP6.86
Rot. Bonds2

About 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene

1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene (PubChem CID 107959104) has the molecular formula C15H12Br2Cl2 and a molecular weight of 422.98 g/mol. Its IUPAC name is 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
PubChem CID107959104
Molecular FormulaC15H12Br2Cl2
Molecular Weight422.98 g/mol
Exact Mass419.87
IUPAC Name1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Br)c2cc(Cl)cc(Br)c2)cc1C
InChIInChI=1S/C15H12Br2Cl2/c1-8-3-13(14(19)4-9(8)2)15(17)10-5-11(16)7-12(18)6-10/h3-7,15H,1-2H3
InChIKeyLWNVOMQSKJRKLM-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.98
LogP ≤ 56.86
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-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
CID 114020889
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319646
1-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319689
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959180
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
1-[bromo-(4-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319679
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421
2,5-dibromo-3-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]thiophene
CID 114021686

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The IUPAC name of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene (CID 107959104) is 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The canonical SMILES for 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene is Cc1cc(Cl)c(C(Br)c2cc(Cl)cc(Br)c2)cc1C.
What is the InChIKey of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The InChIKey is LWNVOMQSKJRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2/c1-8-3-13(14(19)4-9(8)2)15(17)10-5-11(16)7-12(18)6-10/h3-7,15H,1-2H3.
What are the key properties of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene has a molecular weight of 422.98 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene is sourced from PubChem (CID 107959104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).