1-bromo-3-(bromomethyl)-2,4-dimethylbenzene

C9H10Br2 — CID 131618742

IUPAC1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
SMILESCc1ccc(Br)c(C)c1CBr
InChIInChI=1S/C9H10Br2/c1-6-3-4-9(11)7(2)8(6)5-10/h3-4H,5H2,1-2H3
InChIKeySSNJMLVEPPBZEY-UHFFFAOYSA-N
MW277.99 g/mol
LogP3.96
Rot. Bonds1

About 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene

1-bromo-3-(bromomethyl)-2,4-dimethylbenzene (PubChem CID 131618742) has the molecular formula C9H10Br2 and a molecular weight of 277.99 g/mol. Its IUPAC name is 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
PubChem CID131618742
Molecular FormulaC9H10Br2
Molecular Weight277.99 g/mol
Exact Mass275.91
IUPAC Name1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
SMILESCc1ccc(Br)c(C)c1CBr
InChIInChI=1S/C9H10Br2/c1-6-3-4-9(11)7(2)8(6)5-10/h3-4H,5H2,1-2H3
InChIKeySSNJMLVEPPBZEY-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.99
LogP ≤ 53.96
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

3-(bromomethyl)-1-iodo-2,4-dimethylbenzene
CID 171015860
3-bromo-2,6-dimethylphenol;ethane
CID 142823645
1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene
CID 131612949
methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794
1-bromo-2-ethyl-3,4-dimethylbenzene
CID 141218396
6-bromo-2-(2-hydroxyethyl)-3-methylphenol
CID 117333496
1-(3-bromo-2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158899698
2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
CID 130925987
1,2-dibromo-3-(chloromethyl)-4-methylbenzene
CID 171002958
3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
(3-bromo-2,6-dimethylphenyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 20508325

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene?
The IUPAC name of 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene (CID 131618742) is 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene is Cc1ccc(Br)c(C)c1CBr.
What is the InChIKey of 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene?
The InChIKey is SSNJMLVEPPBZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2/c1-6-3-4-9(11)7(2)8(6)5-10/h3-4H,5H2,1-2H3.
What are the key properties of 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene?
1-bromo-3-(bromomethyl)-2,4-dimethylbenzene has a molecular weight of 277.99 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(bromomethyl)-2,4-dimethylbenzene is sourced from PubChem (CID 131618742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).