2-benzyl-3-phenyl(118O)oxirane

C15H14O — CID 10242282

IUPAC2-benzyl-3-phenyl(118O)oxirane
SMILESc1ccc(CC2[18O]C2c2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-3-7-12(8-4-1)11-14-15(16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2/i16+2
InChIKeyZMEQMWLSJBXCMR-VPMSBSONSA-N
MW212.28 g/mol
LogP3.37
Rot. Bonds3

About 2-benzyl-3-phenyl(118O)oxirane

2-benzyl-3-phenyl(118O)oxirane (PubChem CID 10242282) has the molecular formula C15H14O and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-benzyl-3-phenyl(118O)oxirane.

Molecular Properties

Compound Name2-benzyl-3-phenyl(118O)oxirane
PubChem CID10242282
Molecular FormulaC15H14O
Molecular Weight212.28 g/mol
Exact Mass212.11
IUPAC Name2-benzyl-3-phenyl(118O)oxirane
SMILESc1ccc(CC2[18O]C2c2ccccc2)cc1
InChIInChI=1S/C15H14O/c1-3-7-12(8-4-1)11-14-15(16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2/i16+2
InChIKeyZMEQMWLSJBXCMR-VPMSBSONSA-N
XLogP3.37
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.37
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 2-benzyl-3-phenyl(118O)oxirane?
The IUPAC name of 2-benzyl-3-phenyl(118O)oxirane (CID 10242282) is 2-benzyl-3-phenyl(118O)oxirane.
What is the SMILES notation for 2-benzyl-3-phenyl(118O)oxirane?
The canonical SMILES for 2-benzyl-3-phenyl(118O)oxirane is c1ccc(CC2[18O]C2c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-3-phenyl(118O)oxirane?
The InChIKey is ZMEQMWLSJBXCMR-VPMSBSONSA-N. The full InChI is InChI=1S/C15H14O/c1-3-7-12(8-4-1)11-14-15(16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2/i16+2.
What are the key properties of 2-benzyl-3-phenyl(118O)oxirane?
2-benzyl-3-phenyl(118O)oxirane has a molecular weight of 212.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenyl(118O)oxirane is sourced from PubChem (CID 10242282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).