3-[4-(chloromethyl)phenoxy]oxolane

C11H13ClO2 — CID 14651329

IUPAC3-[4-(chloromethyl)phenoxy]oxolane
SMILESClCc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C11H13ClO2/c12-7-9-1-3-10(4-2-9)14-11-5-6-13-8-11/h1-4,11H,5-8H2
InChIKeyFUUOAIKCEFOQRM-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.59
Rot. Bonds3

About 3-[4-(chloromethyl)phenoxy]oxolane

3-[4-(chloromethyl)phenoxy]oxolane (PubChem CID 14651329) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-[4-(chloromethyl)phenoxy]oxolane.

Molecular Properties

Compound Name3-[4-(chloromethyl)phenoxy]oxolane
PubChem CID14651329
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name3-[4-(chloromethyl)phenoxy]oxolane
SMILESClCc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C11H13ClO2/c12-7-9-1-3-10(4-2-9)14-11-5-6-13-8-11/h1-4,11H,5-8H2
InChIKeyFUUOAIKCEFOQRM-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)phenoxy]oxolane?
The IUPAC name of 3-[4-(chloromethyl)phenoxy]oxolane (CID 14651329) is 3-[4-(chloromethyl)phenoxy]oxolane.
What is the SMILES notation for 3-[4-(chloromethyl)phenoxy]oxolane?
The canonical SMILES for 3-[4-(chloromethyl)phenoxy]oxolane is ClCc1ccc(OC2CCOC2)cc1.
What is the InChIKey of 3-[4-(chloromethyl)phenoxy]oxolane?
The InChIKey is FUUOAIKCEFOQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-7-9-1-3-10(4-2-9)14-11-5-6-13-8-11/h1-4,11H,5-8H2.
What are the key properties of 3-[4-(chloromethyl)phenoxy]oxolane?
3-[4-(chloromethyl)phenoxy]oxolane has a molecular weight of 212.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)phenoxy]oxolane is sourced from PubChem (CID 14651329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).