2-phenyloxirane

C8H8O — CID 7276

IUPAC2-phenyloxirane
SMILESc1ccc(C2CO2)cc1
InChIInChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
InChIKeyAWMVMTVKBNGEAK-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.76
Rot. Bonds1

About 2-phenyloxirane

2-phenyloxirane (PubChem CID 7276) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-phenyloxirane.

Molecular Properties

Compound Name2-phenyloxirane
PubChem CID7276
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name2-phenyloxirane
SMILESc1ccc(C2CO2)cc1
InChIInChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
InChIKeyAWMVMTVKBNGEAK-UHFFFAOYSA-N
XLogP1.76
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.76
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-phenyloxirane?
The IUPAC name of 2-phenyloxirane (CID 7276) is 2-phenyloxirane.
What is the SMILES notation for 2-phenyloxirane?
The canonical SMILES for 2-phenyloxirane is c1ccc(C2CO2)cc1.
What is the InChIKey of 2-phenyloxirane?
The InChIKey is AWMVMTVKBNGEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2.
What are the key properties of 2-phenyloxirane?
2-phenyloxirane has a molecular weight of 120.15 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyloxirane is sourced from PubChem (CID 7276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).