bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H15BrO3 — CID 88618664

IUPACbromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESBrc1ccccc1.C(OCC1CO1)C1CO1
InChIInChI=1S/C6H5Br.C6H10O3/c7-6-4-2-1-3-5-6;1(5-3-8-5)7-2-6-4-9-6/h1-5H;5-6H,1-4H2
InChIKeyGBJBAXZLFXBMIH-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.25
Rot. Bonds4

About bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane

bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 88618664) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namebromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID88618664
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Namebromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESBrc1ccccc1.C(OCC1CO1)C1CO1
InChIInChI=1S/C6H5Br.C6H10O3/c7-6-4-2-1-3-5-6;1(5-3-8-5)7-2-6-4-9-6/h1-5H;5-6H,1-4H2
InChIKeyGBJBAXZLFXBMIH-UHFFFAOYSA-N
XLogP2.25
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
CID 87233413
nitrobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88773027
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
(2R)-2-(2-trityloxyethoxymethyl)oxirane
CID 150655953
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-[2-(2-trityloxyethoxy)ethoxymethyl]oxirane
CID 58690199

Frequently Asked Questions

What is the IUPAC name of bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 88618664) is bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane is Brc1ccccc1.C(OCC1CO1)C1CO1.
What is the InChIKey of bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is GBJBAXZLFXBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C6H10O3/c7-6-4-2-1-3-5-6;1(5-3-8-5)7-2-6-4-9-6/h1-5H;5-6H,1-4H2.
What are the key properties of bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 287.15 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 88618664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).