3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane

Name: 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₃ClO₃S — CID 116871432

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane

SMILESCS(=O)(=O)c1ccc(C2(CCl)COC2)cc1

InChIInChI=1S/C11H13ClO3S/c1-16(13,14)10-4-2-9(3-5-10)11(6-12)7-15-8-11/h2-5H,6-8H2,1H3

InChIKeyQLZLCJQFWCSJEX-UHFFFAOYSA-N

MW260.74 g/mol

LogP1.60

Rot. Bonds3

About 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane

3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane (PubChem CID 116871432) has the molecular formula C₁₁H₁₃ClO₃S and a molecular weight of 260.74 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane.

Molecular Properties

Compound Name	3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane
PubChem CID	116871432
Molecular Formula	C₁₁H₁₃ClO₃S
Molecular Weight	260.74 g/mol
Exact Mass	260.03
IUPAC Name	3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane
SMILES	CS(=O)(=O)c1ccc(C2(CCl)COC2)cc1
InChI	InChI=1S/C11H13ClO3S/c1-16(13,14)10-4-2-9(3-5-10)11(6-12)7-15-8-11/h2-5H,6-8H2,1H3
InChIKey	QLZLCJQFWCSJEX-UHFFFAOYSA-N
XLogP	1.60
TPSA	43.37 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.74
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane?

The IUPAC name of 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane (CID 116871432) is 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane.

What is the SMILES notation for 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane?

The canonical SMILES for 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane is CS(=O)(=O)c1ccc(C2(CCl)COC2)cc1.

What is the InChIKey of 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane?

The InChIKey is QLZLCJQFWCSJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c1-16(13,14)10-4-2-9(3-5-10)11(6-12)7-15-8-11/h2-5H,6-8H2,1H3.

What are the key properties of 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane?

3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane has a molecular weight of 260.74 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane is sourced from PubChem (CID 116871432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 116871432 — identifiers, structure, computed properties (public domain)

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