2-[(3-phenyloxiran-2-yl)methyl]oxetane

C12H14O2 — CID 175051190

IUPAC2-[(3-phenyloxiran-2-yl)methyl]oxetane
SMILESc1ccc(C2OC2CC2CCO2)cc1
InChIInChI=1S/C12H14O2/c1-2-4-9(5-3-1)12-11(14-12)8-10-6-7-13-10/h1-5,10-12H,6-8H2
InChIKeyZEJXWMQPVGBGKH-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3-phenyloxiran-2-yl)methyl]oxetane

2-[(3-phenyloxiran-2-yl)methyl]oxetane (PubChem CID 175051190) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(3-phenyloxiran-2-yl)methyl]oxetane.

Molecular Properties

Compound Name2-[(3-phenyloxiran-2-yl)methyl]oxetane
PubChem CID175051190
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-[(3-phenyloxiran-2-yl)methyl]oxetane
SMILESc1ccc(C2OC2CC2CCO2)cc1
InChIInChI=1S/C12H14O2/c1-2-4-9(5-3-1)12-11(14-12)8-10-6-7-13-10/h1-5,10-12H,6-8H2
InChIKeyZEJXWMQPVGBGKH-UHFFFAOYSA-N
XLogP2.31
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(3-phenyloxiran-2-yl)methyl]oxetane 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-[(3-phenyloxiran-2-yl)methyl]oxetane?
The IUPAC name of 2-[(3-phenyloxiran-2-yl)methyl]oxetane (CID 175051190) is 2-[(3-phenyloxiran-2-yl)methyl]oxetane.
What is the SMILES notation for 2-[(3-phenyloxiran-2-yl)methyl]oxetane?
The canonical SMILES for 2-[(3-phenyloxiran-2-yl)methyl]oxetane is c1ccc(C2OC2CC2CCO2)cc1.
What is the InChIKey of 2-[(3-phenyloxiran-2-yl)methyl]oxetane?
The InChIKey is ZEJXWMQPVGBGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-4-9(5-3-1)12-11(14-12)8-10-6-7-13-10/h1-5,10-12H,6-8H2.
What are the key properties of 2-[(3-phenyloxiran-2-yl)methyl]oxetane?
2-[(3-phenyloxiran-2-yl)methyl]oxetane has a molecular weight of 190.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyloxiran-2-yl)methyl]oxetane is sourced from PubChem (CID 175051190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).