1,4-dibromo-2,5-bis(bromomethyl)benzene

C8H6Br4 — CID 640222

IUPAC1,4-dibromo-2,5-bis(bromomethyl)benzene
SMILESBrCc1cc(Br)c(CBr)cc1Br
InChIInChI=1S/C8H6Br4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2
InChIKeyUOCMTKLYRROETA-UHFFFAOYSA-N
MW421.75 g/mol
LogP5.00
Rot. Bonds2

About 1,4-dibromo-2,5-bis(bromomethyl)benzene

1,4-dibromo-2,5-bis(bromomethyl)benzene (PubChem CID 640222) has the molecular formula C8H6Br4 and a molecular weight of 421.75 g/mol. Its IUPAC name is 1,4-dibromo-2,5-bis(bromomethyl)benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-bis(bromomethyl)benzene
PubChem CID640222
Molecular FormulaC8H6Br4
Molecular Weight421.75 g/mol
Exact Mass417.72
IUPAC Name1,4-dibromo-2,5-bis(bromomethyl)benzene
SMILESBrCc1cc(Br)c(CBr)cc1Br
InChIInChI=1S/C8H6Br4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2
InChIKeyUOCMTKLYRROETA-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dibromo-2,5-bis(bromomethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-tribromo-6-(bromomethyl)aniline
CID 175165901
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene
CID 131576661
6-bromo-5-(bromomethyl)-3-iodo-1-benzothiophene
CID 130786017
3-bromo-4-(bromomethyl)thiophene
CID 13354759
1,4-dibromo-2-(bromomethyl)benzene;1,4-dibromo-2-methylbenzene
CID 158762510
[4-bromo-5-(bromomethyl)-2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 87367295
6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 159044062
1-bromo-2-(bromomethyl)-4-chloro-5-[(4-ethoxyphenyl)methyl]benzene
CID 59557690
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
1-bromo-5-(bromomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 171009269

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-bis(bromomethyl)benzene?
The IUPAC name of 1,4-dibromo-2,5-bis(bromomethyl)benzene (CID 640222) is 1,4-dibromo-2,5-bis(bromomethyl)benzene.
What is the SMILES notation for 1,4-dibromo-2,5-bis(bromomethyl)benzene?
The canonical SMILES for 1,4-dibromo-2,5-bis(bromomethyl)benzene is BrCc1cc(Br)c(CBr)cc1Br.
What is the InChIKey of 1,4-dibromo-2,5-bis(bromomethyl)benzene?
The InChIKey is UOCMTKLYRROETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2.
What are the key properties of 1,4-dibromo-2,5-bis(bromomethyl)benzene?
1,4-dibromo-2,5-bis(bromomethyl)benzene has a molecular weight of 421.75 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,5-bis(bromomethyl)benzene is sourced from PubChem (CID 640222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).