1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene

C15H13Br3 — CID 63437775

IUPAC1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
SMILESCc1cc(C)cc(C(Br)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br3/c1-9-5-10(2)7-11(6-9)15(18)13-8-12(16)3-4-14(13)17/h3-8,15H,1-2H3
InChIKeyFMJRMEPUWTWPBE-UHFFFAOYSA-N
MW432.98 g/mol
LogP6.31
Rot. Bonds2

About 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene

1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene (PubChem CID 63437775) has the molecular formula C15H13Br3 and a molecular weight of 432.98 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
PubChem CID63437775
Molecular FormulaC15H13Br3
Molecular Weight432.98 g/mol
Exact Mass429.86
IUPAC Name1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
SMILESCc1cc(C)cc(C(Br)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br3/c1-9-5-10(2)7-11(6-9)15(18)13-8-12(16)3-4-14(13)17/h3-8,15H,1-2H3
InChIKeyFMJRMEPUWTWPBE-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.98
LogP ≤ 56.31
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

(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
1-bromo-3-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylbenzene
CID 113460992
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
(2,4-dibromophenyl)-(3,5-dimethylphenyl)methanol
CID 107947280
3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
CID 65152041
2-[bromo-(2,5-dibromophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880040
2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
CID 79997261
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
[(2,5-dibromophenyl)-(3-methylphenyl)methyl]hydrazine
CID 105284904
1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene
CID 107099130

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene (CID 63437775) is 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene is Cc1cc(C)cc(C(Br)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene?
The InChIKey is FMJRMEPUWTWPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3/c1-9-5-10(2)7-11(6-9)15(18)13-8-12(16)3-4-14(13)17/h3-8,15H,1-2H3.
What are the key properties of 1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene?
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene has a molecular weight of 432.98 g/mol, XLogP of 6.31, 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-(3,5-dimethylphenyl)methyl]benzene is sourced from PubChem (CID 63437775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).