3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde

C16H12Br2O2 — CID 132603186

IUPAC3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde
SMILESCc1cc(Br)c(-c2c(Br)cc(C)cc2C=O)c(C=O)c1
InChIInChI=1S/C16H12Br2O2/c1-9-3-11(7-19)15(13(17)5-9)16-12(8-20)4-10(2)6-14(16)18/h3-8H,1-2H3
InChIKeyKBSAICZYNYMVOV-UHFFFAOYSA-N
MW396.08 g/mol
LogP5.12
Rot. Bonds3

About 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde

3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde (PubChem CID 132603186) has the molecular formula C16H12Br2O2 and a molecular weight of 396.08 g/mol. Its IUPAC name is 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde
PubChem CID132603186
Molecular FormulaC16H12Br2O2
Molecular Weight396.08 g/mol
Exact Mass393.92
IUPAC Name3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde
SMILESCc1cc(Br)c(-c2c(Br)cc(C)cc2C=O)c(C=O)c1
InChIInChI=1S/C16H12Br2O2/c1-9-3-11(7-19)15(13(17)5-9)16-12(8-20)4-10(2)6-14(16)18/h3-8H,1-2H3
InChIKeyKBSAICZYNYMVOV-UHFFFAOYSA-N
XLogP5.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.08
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-bromo-6-formyl-4-methylbenzoate
CID 171010410
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene
CID 162025130
2-bromo-5-methylpyridine-3-carbaldehyde
CID 70701053
2-bromo-6-chloro-4-methylbenzaldehyde
CID 131261147
2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
CID 14045532
3,5-dimethylphthalaldehyde
CID 23156924
2-acetyl-3,5-dimethylbenzaldehyde
CID 171014762
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245
3-fluoro-2,5-dimethylbenzaldehyde
CID 84763320

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde?
The IUPAC name of 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde (CID 132603186) is 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde.
What is the SMILES notation for 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde?
The canonical SMILES for 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde is Cc1cc(Br)c(-c2c(Br)cc(C)cc2C=O)c(C=O)c1.
What is the InChIKey of 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde?
The InChIKey is KBSAICZYNYMVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2O2/c1-9-3-11(7-19)15(13(17)5-9)16-12(8-20)4-10(2)6-14(16)18/h3-8H,1-2H3.
What are the key properties of 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde?
3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde has a molecular weight of 396.08 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde is sourced from PubChem (CID 132603186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).