2-(4-ethylphenyl)oxirane

C10H12O — CID 10374595

IUPAC2-(4-ethylphenyl)oxirane
SMILESCCc1ccc(C2CO2)cc1
InChIInChI=1S/C10H12O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h3-6,10H,2,7H2,1H3
InChIKeyRUZUMVNATYKTJJ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.32
Rot. Bonds2

About 2-(4-ethylphenyl)oxirane

2-(4-ethylphenyl)oxirane (PubChem CID 10374595) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(4-ethylphenyl)oxirane.

Molecular Properties

Compound Name2-(4-ethylphenyl)oxirane
PubChem CID10374595
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-(4-ethylphenyl)oxirane
SMILESCCc1ccc(C2CO2)cc1
InChIInChI=1S/C10H12O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h3-6,10H,2,7H2,1H3
InChIKeyRUZUMVNATYKTJJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)oxirane?
The IUPAC name of 2-(4-ethylphenyl)oxirane (CID 10374595) is 2-(4-ethylphenyl)oxirane.
What is the SMILES notation for 2-(4-ethylphenyl)oxirane?
The canonical SMILES for 2-(4-ethylphenyl)oxirane is CCc1ccc(C2CO2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)oxirane?
The InChIKey is RUZUMVNATYKTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-(4-ethylphenyl)oxirane?
2-(4-ethylphenyl)oxirane 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-(4-ethylphenyl)oxirane is sourced from PubChem (CID 10374595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).