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

C22H20O — CID 87509790

IUPAC2-(2,2,2-triphenylethyl)oxirane
SMILESc1ccc(C(CC2CO2)(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
InChIKeyKFRZMUQIECNTAO-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.81
Rot. Bonds5

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

2-(2,2,2-triphenylethyl)oxirane (PubChem CID 87509790) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(2,2,2-triphenylethyl)oxirane.

Molecular Properties

Compound Name2-(2,2,2-triphenylethyl)oxirane
PubChem CID87509790
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name2-(2,2,2-triphenylethyl)oxirane
SMILESc1ccc(C(CC2CO2)(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
InChIKeyKFRZMUQIECNTAO-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-triphenylethyl)oxirane?
The IUPAC name of 2-(2,2,2-triphenylethyl)oxirane (CID 87509790) is 2-(2,2,2-triphenylethyl)oxirane.
What is the SMILES notation for 2-(2,2,2-triphenylethyl)oxirane?
The canonical SMILES for 2-(2,2,2-triphenylethyl)oxirane is c1ccc(C(CC2CO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2,2,2-triphenylethyl)oxirane?
The InChIKey is KFRZMUQIECNTAO-UHFFFAOYSA-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.
What are the key properties of 2-(2,2,2-triphenylethyl)oxirane?
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 2-(2,2,2-triphenylethyl)oxirane is sourced from PubChem (CID 87509790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).