3-(3-bromophenoxy)oxetane

C9H9BrO2 — CID 83487082

IUPAC3-(3-bromophenoxy)oxetane
SMILESBrc1cccc(OC2COC2)c1
InChIInChI=1S/C9H9BrO2/c10-7-2-1-3-8(4-7)12-9-5-11-6-9/h1-4,9H,5-6H2
InChIKeyIGUQWCVEDNIZBM-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.23
Rot. Bonds2

About 3-(3-bromophenoxy)oxetane

3-(3-bromophenoxy)oxetane (PubChem CID 83487082) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 3-(3-bromophenoxy)oxetane.

Molecular Properties

Compound Name3-(3-bromophenoxy)oxetane
PubChem CID83487082
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name3-(3-bromophenoxy)oxetane
SMILESBrc1cccc(OC2COC2)c1
InChIInChI=1S/C9H9BrO2/c10-7-2-1-3-8(4-7)12-9-5-11-6-9/h1-4,9H,5-6H2
InChIKeyIGUQWCVEDNIZBM-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(3-chlorocyclobutyl)oxybenzene
CID 66343584
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
3-(oxetan-3-yloxy)benzaldehyde
CID 83482101
3-bromo-5-(oxetan-3-yloxy)pyridine
CID 115669745
O-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117285119
2-[3-(oxetan-3-yloxy)phenyl]acetonitrile
CID 84771028
N-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 83484577
(1S,5R)-3-(3-bromophenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878515
2-(3-bromophenoxy)oxane
CID 5067264
5-bromo-2-(oxetan-3-yloxy)aniline
CID 115669715
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
3-(3-bromophenoxy)-1-cyclopentylpiperidine
CID 84606165

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)oxetane?
The IUPAC name of 3-(3-bromophenoxy)oxetane (CID 83487082) is 3-(3-bromophenoxy)oxetane.
What is the SMILES notation for 3-(3-bromophenoxy)oxetane?
The canonical SMILES for 3-(3-bromophenoxy)oxetane is Brc1cccc(OC2COC2)c1.
What is the InChIKey of 3-(3-bromophenoxy)oxetane?
The InChIKey is IGUQWCVEDNIZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-7-2-1-3-8(4-7)12-9-5-11-6-9/h1-4,9H,5-6H2.
What are the key properties of 3-(3-bromophenoxy)oxetane?
3-(3-bromophenoxy)oxetane has a molecular weight of 229.07 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)oxetane is sourced from PubChem (CID 83487082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).