2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane

C20H20Br2O3 — CID 57081615

IUPAC2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane
SMILESBrc1ccc(CC(OC(Cc2ccc(Br)cc2)C2CO2)C2CO2)cc1
InChIInChI=1S/C20H20Br2O3/c21-15-5-1-13(2-6-15)9-17(19-11-23-19)25-18(20-12-24-20)10-14-3-7-16(22)8-4-14/h1-8,17-20H,9-12H2
InChIKeyMSBPFJLGTBINTL-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.55
Rot. Bonds8

About 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane

2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane (PubChem CID 57081615) has the molecular formula C20H20Br2O3 and a molecular weight of 468.19 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane
PubChem CID57081615
Molecular FormulaC20H20Br2O3
Molecular Weight468.19 g/mol
Exact Mass465.98
IUPAC Name2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane
SMILESBrc1ccc(CC(OC(Cc2ccc(Br)cc2)C2CO2)C2CO2)cc1
InChIInChI=1S/C20H20Br2O3/c21-15-5-1-13(2-6-15)9-17(19-11-23-19)25-18(20-12-24-20)10-14-3-7-16(22)8-4-14/h1-8,17-20H,9-12H2
InChIKeyMSBPFJLGTBINTL-UHFFFAOYSA-N
XLogP4.55
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.55
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-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
The IUPAC name of 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane (CID 57081615) is 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane.
What is the SMILES notation for 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
The canonical SMILES for 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane is Brc1ccc(CC(OC(Cc2ccc(Br)cc2)C2CO2)C2CO2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
The InChIKey is MSBPFJLGTBINTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Br2O3/c21-15-5-1-13(2-6-15)9-17(19-11-23-19)25-18(20-12-24-20)10-14-3-7-16(22)8-4-14/h1-8,17-20H,9-12H2.
What are the key properties of 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane?
2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane has a molecular weight of 468.19 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-1-[2-(4-bromophenyl)-1-(oxiran-2-yl)ethoxy]ethyl]oxirane is sourced from PubChem (CID 57081615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).