2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene

C13H8Br4 — CID 107957822

IUPAC2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
SMILESBrc1ccc(C(Br)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H8Br4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H
InChIKeyCSDVKJXQUVOPIH-UHFFFAOYSA-N
MW483.82 g/mol
LogP6.46
Rot. Bonds2

About 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene

2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene (PubChem CID 107957822) has the molecular formula C13H8Br4 and a molecular weight of 483.82 g/mol. Its IUPAC name is 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
PubChem CID107957822
Molecular FormulaC13H8Br4
Molecular Weight483.82 g/mol
Exact Mass479.74
IUPAC Name2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
SMILESBrc1ccc(C(Br)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H8Br4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H
InChIKeyCSDVKJXQUVOPIH-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.82
LogP ≤ 56.46
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

4-bromo-1-[bromo-(4-bromophenyl)methyl]-2-fluorobenzene
CID 63438984
5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107958952
2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847
5-bromo-6-[bromo-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447411
1,4-dibromo-2-[bromo-(4-fluorophenyl)methyl]benzene
CID 55198751
2,4-dibromo-1-[chloro(phenyl)methyl]benzene
CID 107955854
1-bromo-4-[bromo-(4-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057398
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
2-bromo-1-[bromo-(4-tert-butylphenyl)methyl]-4-fluorobenzene
CID 63440057
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
2-bromo-4-[bromo-(4-bromophenyl)methyl]-1-methylbenzene
CID 81476813
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene?
The IUPAC name of 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene (CID 107957822) is 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene is Brc1ccc(C(Br)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene?
The InChIKey is CSDVKJXQUVOPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13H.
What are the key properties of 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene?
2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene has a molecular weight of 483.82 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene is sourced from PubChem (CID 107957822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).