3-(2-bromo-4-methylphenyl)oxetane

C10H11BrO — CID 172992066

IUPAC3-(2-bromo-4-methylphenyl)oxetane
SMILESCc1ccc(C2COC2)c(Br)c1
InChIInChI=1S/C10H11BrO/c1-7-2-3-9(10(11)4-7)8-5-12-6-8/h2-4,8H,5-6H2,1H3
InChIKeyAERIXAHUQRCBTR-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.87
Rot. Bonds1

About 3-(2-bromo-4-methylphenyl)oxetane

3-(2-bromo-4-methylphenyl)oxetane (PubChem CID 172992066) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenyl)oxetane.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenyl)oxetane
PubChem CID172992066
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name3-(2-bromo-4-methylphenyl)oxetane
SMILESCc1ccc(C2COC2)c(Br)c1
InChIInChI=1S/C10H11BrO/c1-7-2-3-9(10(11)4-7)8-5-12-6-8/h2-4,8H,5-6H2,1H3
InChIKeyAERIXAHUQRCBTR-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenyl)oxetane?
The IUPAC name of 3-(2-bromo-4-methylphenyl)oxetane (CID 172992066) is 3-(2-bromo-4-methylphenyl)oxetane.
What is the SMILES notation for 3-(2-bromo-4-methylphenyl)oxetane?
The canonical SMILES for 3-(2-bromo-4-methylphenyl)oxetane is Cc1ccc(C2COC2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methylphenyl)oxetane?
The InChIKey is AERIXAHUQRCBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-7-2-3-9(10(11)4-7)8-5-12-6-8/h2-4,8H,5-6H2,1H3.
What are the key properties of 3-(2-bromo-4-methylphenyl)oxetane?
3-(2-bromo-4-methylphenyl)oxetane has a molecular weight of 227.10 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenyl)oxetane is sourced from PubChem (CID 172992066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).