[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate

C16H12Br2O4 — CID 19792326

IUPAC[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccc(CBr)cc1)c1ccc(CBr)cc1
InChIInChI=1S/C16H12Br2O4/c17-9-11-1-5-13(6-2-11)15(19)21-22-16(20)14-7-3-12(10-18)4-8-14/h1-8H,9-10H2
InChIKeyVSHNCYIYGHIQAC-UHFFFAOYSA-N
MW428.08 g/mol
LogP4.41
Rot. Bonds4

About [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate

[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate (PubChem CID 19792326) has the molecular formula C16H12Br2O4 and a molecular weight of 428.08 g/mol. Its IUPAC name is [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate.

Molecular Properties

Compound Name[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate
PubChem CID19792326
Molecular FormulaC16H12Br2O4
Molecular Weight428.08 g/mol
Exact Mass425.91
IUPAC Name[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate
SMILESO=C(OOC(=O)c1ccc(CBr)cc1)c1ccc(CBr)cc1
InChIInChI=1S/C16H12Br2O4/c17-9-11-1-5-13(6-2-11)15(19)21-22-16(20)14-7-3-12(10-18)4-8-14/h1-8H,9-10H2
InChIKeyVSHNCYIYGHIQAC-UHFFFAOYSA-N
XLogP4.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(bromomethyl)benzenecarboperoxoate
CID 14205062
(2,3,4,5,6-pentafluorophenyl) 4-(bromomethyl)benzoate
CID 86091811
4-(bromomethyl)benzoic acid;hydrobromide
CID 67089483
methyl 4-(bromomethyl)benzoate;methyl 4-[(dimethylamino)methyl]benzoate
CID 70071463
potassium 4-(bromomethyl)benzoate
CID 102001978
sodium 4-(bromomethyl)benzoate
CID 23662147
but-3-en-2-yl 4-(bromomethyl)benzoate
CID 67839392
[(2S)-2-methylbutyl] 4-(bromomethyl)benzoate
CID 54300424
[4-(hydroxymethyl)benzoyl] 4-methylbenzenecarboperoxoate
CID 163593523
4-[4-(bromomethyl)phenyl]benzamide
CID 123362022
2-(3,4-dihydroxyphenyl)ethyl 4-(bromomethyl)benzoate
CID 121459680
methyl 2-[4-(bromomethyl)benzoyl]oxybenzoate
CID 42631900

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate?
The IUPAC name of [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate (CID 19792326) is [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate.
What is the SMILES notation for [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate?
The canonical SMILES for [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate is O=C(OOC(=O)c1ccc(CBr)cc1)c1ccc(CBr)cc1.
What is the InChIKey of [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate?
The InChIKey is VSHNCYIYGHIQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2O4/c17-9-11-1-5-13(6-2-11)15(19)21-22-16(20)14-7-3-12(10-18)4-8-14/h1-8H,9-10H2.
What are the key properties of [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate?
[4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate has a molecular weight of 428.08 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)benzoyl] 4-(bromomethyl)benzenecarboperoxoate is sourced from PubChem (CID 19792326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).