(2R,3S)-2-benzyl-2,3-diphenyloxirane

C21H18O — CID 15499229

IUPAC(2R,3S)-2-benzyl-2,3-diphenyloxirane
SMILESc1ccc(C[C@]2(c3ccccc3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-4-10-17(11-5-1)16-21(19-14-8-3-9-15-19)20(22-21)18-12-6-2-7-13-18/h1-15,20H,16H2/t20-,21+/m0/s1
InChIKeyIOZUXXFRJINMRY-LEWJYISDSA-N
MW286.37 g/mol
LogP4.90
Rot. Bonds4

About (2R,3S)-2-benzyl-2,3-diphenyloxirane

(2R,3S)-2-benzyl-2,3-diphenyloxirane (PubChem CID 15499229) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is (2R,3S)-2-benzyl-2,3-diphenyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-benzyl-2,3-diphenyloxirane
PubChem CID15499229
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name(2R,3S)-2-benzyl-2,3-diphenyloxirane
SMILESc1ccc(C[C@]2(c3ccccc3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C21H18O/c1-4-10-17(11-5-1)16-21(19-14-8-3-9-15-19)20(22-21)18-12-6-2-7-13-18/h1-15,20H,16H2/t20-,21+/m0/s1
InChIKeyIOZUXXFRJINMRY-LEWJYISDSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-ethyl-2,3-diphenyloxirane
CID 45095524
2-(benzenesulfonyl)-2-benzyl-3-phenyloxirane
CID 139704083
[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
CID 54339470
5-[[2-(4-chlorophenyl)-3-phenyloxiran-2-yl]methyl]-1H-1,2,4-triazole
CID 87169879
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
1-[(2,3-diphenyloxiran-2-yl)methyl]-3-methylpyrrole-2,5-dione
CID 122459568
1-[[3-(4-chlorophenyl)-2-phenyloxiran-2-yl]methyl]-1,2,4-triazole
CID 13232416
3-benzyl-2,2-diphenyloxirane
CID 134205006
3-benzyl-3-methyloxiran-2-amine
CID 130712281
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
2-[(2S,3S)-3-ethyl-3-phenyloxiran-2-yl]pyridine
CID 101468002
4-benzyl-2,4,6-triphenylpyran
CID 14198395

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-benzyl-2,3-diphenyloxirane?
The IUPAC name of (2R,3S)-2-benzyl-2,3-diphenyloxirane (CID 15499229) is (2R,3S)-2-benzyl-2,3-diphenyloxirane.
What is the SMILES notation for (2R,3S)-2-benzyl-2,3-diphenyloxirane?
The canonical SMILES for (2R,3S)-2-benzyl-2,3-diphenyloxirane is c1ccc(C[C@]2(c3ccccc3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2-benzyl-2,3-diphenyloxirane?
The InChIKey is IOZUXXFRJINMRY-LEWJYISDSA-N. The full InChI is InChI=1S/C21H18O/c1-4-10-17(11-5-1)16-21(19-14-8-3-9-15-19)20(22-21)18-12-6-2-7-13-18/h1-15,20H,16H2/t20-,21+/m0/s1.
What are the key properties of (2R,3S)-2-benzyl-2,3-diphenyloxirane?
(2R,3S)-2-benzyl-2,3-diphenyloxirane has a molecular weight of 286.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-benzyl-2,3-diphenyloxirane is sourced from PubChem (CID 15499229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).