2-ethyl-2-phenyloxirane

C10H12O — CID 10997195

IUPAC2-ethyl-2-phenyloxirane
SMILESCCC1(c2ccccc2)CO1
InChIInChI=1S/C10H12O/c1-2-10(8-11-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVDYFBUQWGZXAPA-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.32
Rot. Bonds2

About 2-ethyl-2-phenyloxirane

2-ethyl-2-phenyloxirane (PubChem CID 10997195) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-ethyl-2-phenyloxirane.

Molecular Properties

Compound Name2-ethyl-2-phenyloxirane
PubChem CID10997195
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-ethyl-2-phenyloxirane
SMILESCCC1(c2ccccc2)CO1
InChIInChI=1S/C10H12O/c1-2-10(8-11-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVDYFBUQWGZXAPA-UHFFFAOYSA-N
XLogP2.32
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-phenyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyloxirane?
The IUPAC name of 2-ethyl-2-phenyloxirane (CID 10997195) is 2-ethyl-2-phenyloxirane.
What is the SMILES notation for 2-ethyl-2-phenyloxirane?
The canonical SMILES for 2-ethyl-2-phenyloxirane is CCC1(c2ccccc2)CO1.
What is the InChIKey of 2-ethyl-2-phenyloxirane?
The InChIKey is VDYFBUQWGZXAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-10(8-11-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-ethyl-2-phenyloxirane?
2-ethyl-2-phenyloxirane has a molecular weight of 148.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyloxirane is sourced from PubChem (CID 10997195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).