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

C15H12Br2Cl2 — CID 113403111

IUPAC1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Br)c2cccc(Br)c2Cl)cc1C
InChIInChI=1S/C15H12Br2Cl2/c1-8-6-11(13(18)7-9(8)2)14(17)10-4-3-5-12(16)15(10)19/h3-7,14H,1-2H3
InChIKeyBBUOJDPKNFGOSZ-UHFFFAOYSA-N
MW422.98 g/mol
LogP6.86
Rot. Bonds2

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

1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene (PubChem CID 113403111) has the molecular formula C15H12Br2Cl2 and a molecular weight of 422.98 g/mol. Its IUPAC name is 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
PubChem CID113403111
Molecular FormulaC15H12Br2Cl2
Molecular Weight422.98 g/mol
Exact Mass419.87
IUPAC Name1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Br)c2cccc(Br)c2Cl)cc1C
InChIInChI=1S/C15H12Br2Cl2/c1-8-6-11(13(18)7-9(8)2)14(17)10-4-3-5-12(16)15(10)19/h3-7,14H,1-2H3
InChIKeyBBUOJDPKNFGOSZ-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-[bromo-(2,3-dimethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319692
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-bromo-4-[bromo-(3-bromo-2-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057418
1-[bromo-(2-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 115484808
1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63445141
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 115484950
2,5-dibromo-3-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]thiophene
CID 114021686
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
3-[bromo-(2-chloro-4,5-dimethylphenyl)methyl]-4-methylthiophene
CID 115484917
1-[bromo-(2-fluoro-3-methylphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477536
1-bromo-2-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 113403141

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The IUPAC name of 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene (CID 113403111) is 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The canonical SMILES for 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene is Cc1cc(Cl)c(C(Br)c2cccc(Br)c2Cl)cc1C.
What is the InChIKey of 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
The InChIKey is BBUOJDPKNFGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2/c1-8-6-11(13(18)7-9(8)2)14(17)10-4-3-5-12(16)15(10)19/h3-7,14H,1-2H3.
What are the key properties of 1-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene?
1-[bromo-(3-bromo-2-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-2-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene is sourced from PubChem (CID 113403111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).