1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H14Br2O3 — CID 87260520

IUPAC1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESBrc1ccccc1Br.C(OCC1CO1)C1CO1
InChIInChI=1S/C6H4Br2.C6H10O3/c7-5-3-1-2-4-6(5)8;1(5-3-8-5)7-2-6-4-9-6/h1-4H;5-6H,1-4H2
InChIKeyKXFAKLQTBGMAHO-UHFFFAOYSA-N
MW366.05 g/mol
LogP3.01
Rot. Bonds4

About 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane

1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87260520) has the molecular formula C12H14Br2O3 and a molecular weight of 366.05 g/mol. Its IUPAC name is 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87260520
Molecular FormulaC12H14Br2O3
Molecular Weight366.05 g/mol
Exact Mass363.93
IUPAC Name1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESBrc1ccccc1Br.C(OCC1CO1)C1CO1
InChIInChI=1S/C6H4Br2.C6H10O3/c7-5-3-1-2-4-6(5)8;1(5-3-8-5)7-2-6-4-9-6/h1-4H;5-6H,1-4H2
InChIKeyKXFAKLQTBGMAHO-UHFFFAOYSA-N
XLogP3.01
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane 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

bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664
2-(oxiran-2-ylmethoxymethyl)oxirane;phenylphosphane
CID 162075720
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
[(2R)-oxiran-2-yl]methyl 2-bromobenzoate
CID 39733858
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
CID 87233413
nitrobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88773027
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87444072
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
CID 88761424
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87260520) is 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane is Brc1ccccc1Br.C(OCC1CO1)C1CO1.
What is the InChIKey of 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is KXFAKLQTBGMAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2.C6H10O3/c7-5-3-1-2-4-6(5)8;1(5-3-8-5)7-2-6-4-9-6/h1-4H;5-6H,1-4H2.
What are the key properties of 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane?
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 366.05 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87260520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).