4-phenoxyoxane

C11H14O2 — CID 58483739

IUPAC4-phenoxyoxane
SMILESc1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11H,6-9H2
InChIKeyOYXGVZNVCITLOT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.24
Rot. Bonds2

About 4-phenoxyoxane

4-phenoxyoxane (PubChem CID 58483739) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-phenoxyoxane.

Molecular Properties

Compound Name4-phenoxyoxane
PubChem CID58483739
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-phenoxyoxane
SMILESc1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11H,6-9H2
InChIKeyOYXGVZNVCITLOT-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenoxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenoxyoxane?
The IUPAC name of 4-phenoxyoxane (CID 58483739) is 4-phenoxyoxane.
What is the SMILES notation for 4-phenoxyoxane?
The canonical SMILES for 4-phenoxyoxane is c1ccc(OC2CCOCC2)cc1.
What is the InChIKey of 4-phenoxyoxane?
The InChIKey is OYXGVZNVCITLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11H,6-9H2.
What are the key properties of 4-phenoxyoxane?
4-phenoxyoxane has a molecular weight of 178.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxyoxane is sourced from PubChem (CID 58483739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).