2-(3-phenylpropyl)oxirane

C11H14O — CID 10855795

IUPAC2-(3-phenylpropyl)oxirane
SMILESc1ccc(CCCC2CO2)cc1
InChIInChI=1S/C11H14O/c1-2-5-10(6-3-1)7-4-8-11-9-12-11/h1-3,5-6,11H,4,7-9H2
InChIKeyMWJZLVYXIJHOJE-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.41
Rot. Bonds4

About 2-(3-phenylpropyl)oxirane

2-(3-phenylpropyl)oxirane (PubChem CID 10855795) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-(3-phenylpropyl)oxirane.

Molecular Properties

Compound Name2-(3-phenylpropyl)oxirane
PubChem CID10855795
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-(3-phenylpropyl)oxirane
SMILESc1ccc(CCCC2CO2)cc1
InChIInChI=1S/C11H14O/c1-2-5-10(6-3-1)7-4-8-11-9-12-11/h1-3,5-6,11H,4,7-9H2
InChIKeyMWJZLVYXIJHOJE-UHFFFAOYSA-N
XLogP2.41
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.41
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-(3-phenylpropyl)oxirane?
The IUPAC name of 2-(3-phenylpropyl)oxirane (CID 10855795) is 2-(3-phenylpropyl)oxirane.
What is the SMILES notation for 2-(3-phenylpropyl)oxirane?
The canonical SMILES for 2-(3-phenylpropyl)oxirane is c1ccc(CCCC2CO2)cc1.
What is the InChIKey of 2-(3-phenylpropyl)oxirane?
The InChIKey is MWJZLVYXIJHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-2-5-10(6-3-1)7-4-8-11-9-12-11/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 2-(3-phenylpropyl)oxirane?
2-(3-phenylpropyl)oxirane has a molecular weight of 162.23 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)oxirane is sourced from PubChem (CID 10855795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).