2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene

C14H10Br4O2 — CID 151763622

IUPAC2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene
SMILESBrc1ccc(COOCc2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br4O2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2
InChIKeyRRCAEGYCBYQIAX-UHFFFAOYSA-N
MW529.85 g/mol
LogP6.39
Rot. Bonds5

About 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene

2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene (PubChem CID 151763622) has the molecular formula C14H10Br4O2 and a molecular weight of 529.85 g/mol. Its IUPAC name is 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene
PubChem CID151763622
Molecular FormulaC14H10Br4O2
Molecular Weight529.85 g/mol
Exact Mass525.74
IUPAC Name2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene
SMILESBrc1ccc(COOCc2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C14H10Br4O2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2
InChIKeyRRCAEGYCBYQIAX-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.85
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis[(2,4-dibromophenyl)methyl] carbonate
CID 164884274
2-(2,4-dibromophenyl)ethanamine
CID 73012416
2,4-dibromo-1-[2-[2-(2,4-dibromophenyl)ethyldisulfanyl]ethyl]benzene
CID 87271431
(2,4-dibromophenyl)methanesulfonamide
CID 107944156
3-(2,4-dibromophenyl)propanenitrile
CID 130849620
(E)-2-(4-bromophenyl)-3-[4-[(2,4-dibromophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126189799
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]aniline
CID 60791838
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
1-[(2,4-dibromophenyl)methyl]pyridin-1-ium bromide
CID 13381020
N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 102773542
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene?
The IUPAC name of 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene (CID 151763622) is 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene is Brc1ccc(COOCc2ccc(Br)cc2Br)c(Br)c1.
What is the InChIKey of 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene?
The InChIKey is RRCAEGYCBYQIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O2/c15-11-3-1-9(13(17)5-11)7-19-20-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2.
What are the key properties of 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene?
2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene has a molecular weight of 529.85 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene is sourced from PubChem (CID 151763622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).