2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

C18H16Br2O3 — CID 57139590

IUPAC2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESBrc1ccc(C(OC(c2ccc(Br)cc2)C2CO2)C2CO2)cc1
InChIInChI=1S/C18H16Br2O3/c19-13-5-1-11(2-6-13)17(15-9-21-15)23-18(16-10-22-16)12-3-7-14(20)8-4-12/h1-8,15-18H,9-10H2
InChIKeyWDXSVRKTASTUJY-UHFFFAOYSA-N
MW440.13 g/mol
LogP4.81
Rot. Bonds6

About 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane

2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (PubChem CID 57139590) has the molecular formula C18H16Br2O3 and a molecular weight of 440.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
PubChem CID57139590
Molecular FormulaC18H16Br2O3
Molecular Weight440.13 g/mol
Exact Mass437.95
IUPAC Name2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESBrc1ccc(C(OC(c2ccc(Br)cc2)C2CO2)C2CO2)cc1
InChIInChI=1S/C18H16Br2O3/c19-13-5-1-11(2-6-13)17(15-9-21-15)23-18(16-10-22-16)12-3-7-14(20)8-4-12/h1-8,15-18H,9-10H2
InChIKeyWDXSVRKTASTUJY-UHFFFAOYSA-N
XLogP4.81
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.13
LogP ≤ 54.81
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The IUPAC name of 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane (CID 57139590) is 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane.
What is the SMILES notation for 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The canonical SMILES for 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is Brc1ccc(C(OC(c2ccc(Br)cc2)C2CO2)C2CO2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The InChIKey is WDXSVRKTASTUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2O3/c19-13-5-1-11(2-6-13)17(15-9-21-15)23-18(16-10-22-16)12-3-7-14(20)8-4-12/h1-8,15-18H,9-10H2.
What are the key properties of 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane?
2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane has a molecular weight of 440.13 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-[(4-bromophenyl)-(oxiran-2-yl)methoxy]methyl]oxirane is sourced from PubChem (CID 57139590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).