(2S)-2-(2,2,2-triphenylethyl)oxirane

C22H20O — CID 91391452

IUPAC(2S)-2-(2,2,2-triphenylethyl)oxirane
SMILESc1ccc(C(C[C@H]2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O/c1-4-10-18(11-5-1)22(16-21-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKeyKFRZMUQIECNTAO-NRFANRHFSA-N
MW300.40 g/mol
LogP4.81
Rot. Bonds5

About (2S)-2-(2,2,2-triphenylethyl)oxirane

(2S)-2-(2,2,2-triphenylethyl)oxirane (PubChem CID 91391452) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-2-(2,2,2-triphenylethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(2,2,2-triphenylethyl)oxirane
PubChem CID91391452
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name(2S)-2-(2,2,2-triphenylethyl)oxirane
SMILESc1ccc(C(C[C@H]2CO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O/c1-4-10-18(11-5-1)22(16-21-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1
InChIKeyKFRZMUQIECNTAO-NRFANRHFSA-N
XLogP4.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,2,2-triphenylethyl)oxirane 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 (2S)-2-(2,2,2-triphenylethyl)oxirane?
The IUPAC name of (2S)-2-(2,2,2-triphenylethyl)oxirane (CID 91391452) is (2S)-2-(2,2,2-triphenylethyl)oxirane.
What is the SMILES notation for (2S)-2-(2,2,2-triphenylethyl)oxirane?
The canonical SMILES for (2S)-2-(2,2,2-triphenylethyl)oxirane is c1ccc(C(C[C@H]2CO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(2,2,2-triphenylethyl)oxirane?
The InChIKey is KFRZMUQIECNTAO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20O/c1-4-10-18(11-5-1)22(16-21-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m0/s1.
What are the key properties of (2S)-2-(2,2,2-triphenylethyl)oxirane?
(2S)-2-(2,2,2-triphenylethyl)oxirane has a molecular weight of 300.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2,2-triphenylethyl)oxirane is sourced from PubChem (CID 91391452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).