3-[(3-chlorophenoxy)methyl]oxetane

C10H11ClO2 — CID 116820115

IUPAC3-[(3-chlorophenoxy)methyl]oxetane
SMILESClc1cccc(OCC2COC2)c1
InChIInChI=1S/C10H11ClO2/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8/h1-4,8H,5-7H2
InChIKeyOCBPZRQXXGZBFY-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.37
Rot. Bonds3

About 3-[(3-chlorophenoxy)methyl]oxetane

3-[(3-chlorophenoxy)methyl]oxetane (PubChem CID 116820115) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]oxetane.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]oxetane
PubChem CID116820115
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-[(3-chlorophenoxy)methyl]oxetane
SMILESClc1cccc(OCC2COC2)c1
InChIInChI=1S/C10H11ClO2/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8/h1-4,8H,5-7H2
InChIKeyOCBPZRQXXGZBFY-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116820148
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]oxetane?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]oxetane (CID 116820115) is 3-[(3-chlorophenoxy)methyl]oxetane.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]oxetane?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]oxetane is Clc1cccc(OCC2COC2)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]oxetane?
The InChIKey is OCBPZRQXXGZBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-9-2-1-3-10(4-9)13-7-8-5-12-6-8/h1-4,8H,5-7H2.
What are the key properties of 3-[(3-chlorophenoxy)methyl]oxetane?
3-[(3-chlorophenoxy)methyl]oxetane has a molecular weight of 198.65 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]oxetane is sourced from PubChem (CID 116820115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).