2-[2-(4-bromophenoxy)ethyl]oxolane

C12H15BrO2 — CID 65161274

IUPAC2-[2-(4-bromophenoxy)ethyl]oxolane
SMILESBrc1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C12H15BrO2/c13-10-3-5-12(6-4-10)15-9-7-11-2-1-8-14-11/h3-6,11H,1-2,7-9H2
InChIKeyFURXFRDWKYUNDB-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.40
Rot. Bonds4

About 2-[2-(4-bromophenoxy)ethyl]oxolane

2-[2-(4-bromophenoxy)ethyl]oxolane (PubChem CID 65161274) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl]oxolane
PubChem CID65161274
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-[2-(4-bromophenoxy)ethyl]oxolane
SMILESBrc1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C12H15BrO2/c13-10-3-5-12(6-4-10)15-9-7-11-2-1-8-14-11/h3-6,11H,1-2,7-9H2
InChIKeyFURXFRDWKYUNDB-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
3-bromo-5-[2-(oxolan-2-yl)ethoxy]pyridine
CID 65160795
3-bromo-5-[2-(oxolan-2-yl)ethoxy]aniline
CID 103588138
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
4-bromo-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159009
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
CID 65166577
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245
2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
CID 65163188

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl]oxolane?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl]oxolane (CID 65161274) is 2-[2-(4-bromophenoxy)ethyl]oxolane.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl]oxolane?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl]oxolane is Brc1ccc(OCCC2CCCO2)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl]oxolane?
The InChIKey is FURXFRDWKYUNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-10-3-5-12(6-4-10)15-9-7-11-2-1-8-14-11/h3-6,11H,1-2,7-9H2.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl]oxolane?
2-[2-(4-bromophenoxy)ethyl]oxolane has a molecular weight of 271.15 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl]oxolane is sourced from PubChem (CID 65161274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).