3-benzyl-2,2-diphenyloxirane

C21H18O — CID 134205006

IUPAC3-benzyl-2,2-diphenyloxirane
SMILESc1ccc(CC2OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-4-10-17(11-5-1)16-20-21(22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyJLSRPAWWBBHIDX-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.57
Rot. Bonds4

About 3-benzyl-2,2-diphenyloxirane

3-benzyl-2,2-diphenyloxirane (PubChem CID 134205006) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-benzyl-2,2-diphenyloxirane.

Molecular Properties

Compound Name3-benzyl-2,2-diphenyloxirane
PubChem CID134205006
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name3-benzyl-2,2-diphenyloxirane
SMILESc1ccc(CC2OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-4-10-17(11-5-1)16-20-21(22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyJLSRPAWWBBHIDX-UHFFFAOYSA-N
XLogP4.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-benzyl-2,2-diphenyloxirane 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 3-benzyl-2,2-diphenyloxirane?
The IUPAC name of 3-benzyl-2,2-diphenyloxirane (CID 134205006) is 3-benzyl-2,2-diphenyloxirane.
What is the SMILES notation for 3-benzyl-2,2-diphenyloxirane?
The canonical SMILES for 3-benzyl-2,2-diphenyloxirane is c1ccc(CC2OC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2,2-diphenyloxirane?
The InChIKey is JLSRPAWWBBHIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-4-10-17(11-5-1)16-20-21(22-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2.
What are the key properties of 3-benzyl-2,2-diphenyloxirane?
3-benzyl-2,2-diphenyloxirane has a molecular weight of 286.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,2-diphenyloxirane is sourced from PubChem (CID 134205006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).