(2R,3R)-2-ethyl-2,3-diphenyloxirane

C16H16O — CID 45095524

IUPAC(2R,3R)-2-ethyl-2,3-diphenyloxirane
SMILESCC[C@]1(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C16H16O/c1-2-16(14-11-7-4-8-12-14)15(17-16)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3/t15-,16-/m1/s1
InChIKeyWTVDAZOYXCCQFU-HZPDHXFCSA-N
MW224.30 g/mol
LogP4.06
Rot. Bonds3

About (2R,3R)-2-ethyl-2,3-diphenyloxirane

(2R,3R)-2-ethyl-2,3-diphenyloxirane (PubChem CID 45095524) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-2,3-diphenyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-2,3-diphenyloxirane
PubChem CID45095524
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(2R,3R)-2-ethyl-2,3-diphenyloxirane
SMILESCC[C@]1(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C16H16O/c1-2-16(14-11-7-4-8-12-14)15(17-16)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3/t15-,16-/m1/s1
InChIKeyWTVDAZOYXCCQFU-HZPDHXFCSA-N
XLogP4.06
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-2,3-diphenyloxirane?
The IUPAC name of (2R,3R)-2-ethyl-2,3-diphenyloxirane (CID 45095524) is (2R,3R)-2-ethyl-2,3-diphenyloxirane.
What is the SMILES notation for (2R,3R)-2-ethyl-2,3-diphenyloxirane?
The canonical SMILES for (2R,3R)-2-ethyl-2,3-diphenyloxirane is CC[C@]1(c2ccccc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-ethyl-2,3-diphenyloxirane?
The InChIKey is WTVDAZOYXCCQFU-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H16O/c1-2-16(14-11-7-4-8-12-14)15(17-16)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-2,3-diphenyloxirane?
(2R,3R)-2-ethyl-2,3-diphenyloxirane has a molecular weight of 224.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-2,3-diphenyloxirane is sourced from PubChem (CID 45095524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).