2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene

C15H12Br4O — CID 162025130

IUPAC2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene
SMILESCc1cc(Br)c(C=O)c(Br)c1.Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C8H6Br2O.C7H6Br2/c1-5-2-7(9)6(4-11)8(10)3-5;1-5-2-6(8)4-7(9)3-5/h2-4H,1H3;2-4H,1H3
InChIKeyYVGRHOGPCIXDCJ-UHFFFAOYSA-N
MW527.88 g/mol
LogP6.85
Rot. Bonds1

About 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene

2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene (PubChem CID 162025130) has the molecular formula C15H12Br4O and a molecular weight of 527.88 g/mol. Its IUPAC name is 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene.

Molecular Properties

Compound Name2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene
PubChem CID162025130
Molecular FormulaC15H12Br4O
Molecular Weight527.88 g/mol
Exact Mass523.76
IUPAC Name2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene
SMILESCc1cc(Br)c(C=O)c(Br)c1.Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C8H6Br2O.C7H6Br2/c1-5-2-7(9)6(4-11)8(10)3-5;1-5-2-6(8)4-7(9)3-5/h2-4H,1H3;2-4H,1H3
InChIKeyYVGRHOGPCIXDCJ-UHFFFAOYSA-N
XLogP6.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.88
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-4-methylbenzaldehyde
CID 131261147
2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
2,4-dibromo-6-methylbenzaldehyde
CID 102195216
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde
CID 132603186
3-bromo-5-methylbenzaldehyde;ethane-1,2-diol
CID 175049873
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
3,5-dibromobenzaldehyde;ethane
CID 145297632
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde
CID 174180039
5-bromo-3-(3,5-dimethylphenyl)-1-methylpyrazole-4-carbaldehyde
CID 87406107

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene?
The IUPAC name of 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene (CID 162025130) is 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene.
What is the SMILES notation for 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene?
The canonical SMILES for 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene is Cc1cc(Br)c(C=O)c(Br)c1.Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene?
The InChIKey is YVGRHOGPCIXDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O.C7H6Br2/c1-5-2-7(9)6(4-11)8(10)3-5;1-5-2-6(8)4-7(9)3-5/h2-4H,1H3;2-4H,1H3.
What are the key properties of 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene?
2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene has a molecular weight of 527.88 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene is sourced from PubChem (CID 162025130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).