2-phenyl-4-propan-2-yl-1,3-dioxetane

C11H14O2 — CID 67555130

IUPAC2-phenyl-4-propan-2-yl-1,3-dioxetane
SMILESCC(C)C1OC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-8(2)10-12-11(13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyGGLQAXBTDQXRAQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.71
Rot. Bonds2

About 2-phenyl-4-propan-2-yl-1,3-dioxetane

2-phenyl-4-propan-2-yl-1,3-dioxetane (PubChem CID 67555130) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-yl-1,3-dioxetane.

Molecular Properties

Compound Name2-phenyl-4-propan-2-yl-1,3-dioxetane
PubChem CID67555130
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-phenyl-4-propan-2-yl-1,3-dioxetane
SMILESCC(C)C1OC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-8(2)10-12-11(13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyGGLQAXBTDQXRAQ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-4-propan-2-yl-1,3-dioxetane 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 2-phenyl-4-propan-2-yl-1,3-dioxetane?
The IUPAC name of 2-phenyl-4-propan-2-yl-1,3-dioxetane (CID 67555130) is 2-phenyl-4-propan-2-yl-1,3-dioxetane.
What is the SMILES notation for 2-phenyl-4-propan-2-yl-1,3-dioxetane?
The canonical SMILES for 2-phenyl-4-propan-2-yl-1,3-dioxetane is CC(C)C1OC(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-4-propan-2-yl-1,3-dioxetane?
The InChIKey is GGLQAXBTDQXRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)10-12-11(13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-yl-1,3-dioxetane?
2-phenyl-4-propan-2-yl-1,3-dioxetane has a molecular weight of 178.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-yl-1,3-dioxetane is sourced from PubChem (CID 67555130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).