3-[2-(4-bromophenoxy)ethoxy]oxolane

C12H15BrO3 — CID 63559292

IUPAC3-[2-(4-bromophenoxy)ethoxy]oxolane
SMILESBrc1ccc(OCCOC2CCOC2)cc1
InChIInChI=1S/C12H15BrO3/c13-10-1-3-11(4-2-10)15-7-8-16-12-5-6-14-9-12/h1-4,12H,5-9H2
InChIKeyQQTIXGPKVLZUMZ-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.63
Rot. Bonds5

About 3-[2-(4-bromophenoxy)ethoxy]oxolane

3-[2-(4-bromophenoxy)ethoxy]oxolane (PubChem CID 63559292) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 3-[2-(4-bromophenoxy)ethoxy]oxolane.

Molecular Properties

Compound Name3-[2-(4-bromophenoxy)ethoxy]oxolane
PubChem CID63559292
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name3-[2-(4-bromophenoxy)ethoxy]oxolane
SMILESBrc1ccc(OCCOC2CCOC2)cc1
InChIInChI=1S/C12H15BrO3/c13-10-1-3-11(4-2-10)15-7-8-16-12-5-6-14-9-12/h1-4,12H,5-9H2
InChIKeyQQTIXGPKVLZUMZ-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenoxy)ethoxy]oxolane?
The IUPAC name of 3-[2-(4-bromophenoxy)ethoxy]oxolane (CID 63559292) is 3-[2-(4-bromophenoxy)ethoxy]oxolane.
What is the SMILES notation for 3-[2-(4-bromophenoxy)ethoxy]oxolane?
The canonical SMILES for 3-[2-(4-bromophenoxy)ethoxy]oxolane is Brc1ccc(OCCOC2CCOC2)cc1.
What is the InChIKey of 3-[2-(4-bromophenoxy)ethoxy]oxolane?
The InChIKey is QQTIXGPKVLZUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c13-10-1-3-11(4-2-10)15-7-8-16-12-5-6-14-9-12/h1-4,12H,5-9H2.
What are the key properties of 3-[2-(4-bromophenoxy)ethoxy]oxolane?
3-[2-(4-bromophenoxy)ethoxy]oxolane has a molecular weight of 287.15 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenoxy)ethoxy]oxolane is sourced from PubChem (CID 63559292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).