3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene

C10H12Br2 — CID 139922240

IUPAC3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene
SMILESCc1cc(CBr)c(C)c(Br)c1C
InChIInChI=1S/C10H12Br2/c1-6-4-9(5-11)8(3)10(12)7(6)2/h4H,5H2,1-3H3
InChIKeyDJIMZFVKDFEFQA-UHFFFAOYSA-N
MW292.01 g/mol
LogP4.27
Rot. Bonds1

About 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene

3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene (PubChem CID 139922240) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene
PubChem CID139922240
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene
SMILESCc1cc(CBr)c(C)c(Br)c1C
InChIInChI=1S/C10H12Br2/c1-6-4-9(5-11)8(3)10(12)7(6)2/h4H,5H2,1-3H3
InChIKeyDJIMZFVKDFEFQA-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene?
The IUPAC name of 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene (CID 139922240) is 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene.
What is the SMILES notation for 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene?
The canonical SMILES for 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene is Cc1cc(CBr)c(C)c(Br)c1C.
What is the InChIKey of 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene?
The InChIKey is DJIMZFVKDFEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2/c1-6-4-9(5-11)8(3)10(12)7(6)2/h4H,5H2,1-3H3.
What are the key properties of 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene?
3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene has a molecular weight of 292.01 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene is sourced from PubChem (CID 139922240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).