3-(4-bromophenyl)-3-methyloxetane

C10H11BrO — CID 59206220

IUPAC3-(4-bromophenyl)-3-methyloxetane
SMILESCC1(c2ccc(Br)cc2)COC1
InChIInChI=1S/C10H11BrO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyPJUDQBGOXZAYIJ-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.74
Rot. Bonds1

About 3-(4-bromophenyl)-3-methyloxetane

3-(4-bromophenyl)-3-methyloxetane (PubChem CID 59206220) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-methyloxetane
PubChem CID59206220
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name3-(4-bromophenyl)-3-methyloxetane
SMILESCC1(c2ccc(Br)cc2)COC1
InChIInChI=1S/C10H11BrO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKeyPJUDQBGOXZAYIJ-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-methyloxetane?
The IUPAC name of 3-(4-bromophenyl)-3-methyloxetane (CID 59206220) is 3-(4-bromophenyl)-3-methyloxetane.
What is the SMILES notation for 3-(4-bromophenyl)-3-methyloxetane?
The canonical SMILES for 3-(4-bromophenyl)-3-methyloxetane is CC1(c2ccc(Br)cc2)COC1.
What is the InChIKey of 3-(4-bromophenyl)-3-methyloxetane?
The InChIKey is PJUDQBGOXZAYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-bromophenyl)-3-methyloxetane?
3-(4-bromophenyl)-3-methyloxetane has a molecular weight of 227.10 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-methyloxetane is sourced from PubChem (CID 59206220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).