3-(3-bromophenyl)oxetane

C9H9BrO — CID 53484319

IUPAC3-(3-bromophenyl)oxetane
SMILESBrc1cccc(C2COC2)c1
InChIInChI=1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2
InChIKeyIKNHAXGIHOUCCX-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.56
Rot. Bonds1

About 3-(3-bromophenyl)oxetane

3-(3-bromophenyl)oxetane (PubChem CID 53484319) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 3-(3-bromophenyl)oxetane.

Molecular Properties

Compound Name3-(3-bromophenyl)oxetane
PubChem CID53484319
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name3-(3-bromophenyl)oxetane
SMILESBrc1cccc(C2COC2)c1
InChIInChI=1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2
InChIKeyIKNHAXGIHOUCCX-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)oxetane?
The IUPAC name of 3-(3-bromophenyl)oxetane (CID 53484319) is 3-(3-bromophenyl)oxetane.
What is the SMILES notation for 3-(3-bromophenyl)oxetane?
The canonical SMILES for 3-(3-bromophenyl)oxetane is Brc1cccc(C2COC2)c1.
What is the InChIKey of 3-(3-bromophenyl)oxetane?
The InChIKey is IKNHAXGIHOUCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2.
What are the key properties of 3-(3-bromophenyl)oxetane?
3-(3-bromophenyl)oxetane has a molecular weight of 213.07 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)oxetane is sourced from PubChem (CID 53484319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).