2-(2-phenylmethoxyethyl)oxirane

C11H14O2 — CID 10888484

IUPAC2-(2-phenylmethoxyethyl)oxirane
SMILESc1ccc(COCCC2CO2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h1-5,11H,6-9H2
InChIKeyWEEINLJFNLBGTR-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-phenylmethoxyethyl)oxirane

2-(2-phenylmethoxyethyl)oxirane (PubChem CID 10888484) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)oxirane.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)oxirane
PubChem CID10888484
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(2-phenylmethoxyethyl)oxirane
SMILESc1ccc(COCCC2CO2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h1-5,11H,6-9H2
InChIKeyWEEINLJFNLBGTR-UHFFFAOYSA-N
XLogP1.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethyl)oxirane?
The IUPAC name of 2-(2-phenylmethoxyethyl)oxirane (CID 10888484) is 2-(2-phenylmethoxyethyl)oxirane.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)oxirane?
The canonical SMILES for 2-(2-phenylmethoxyethyl)oxirane is c1ccc(COCCC2CO2)cc1.
What is the InChIKey of 2-(2-phenylmethoxyethyl)oxirane?
The InChIKey is WEEINLJFNLBGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h1-5,11H,6-9H2.
What are the key properties of 2-(2-phenylmethoxyethyl)oxirane?
2-(2-phenylmethoxyethyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)oxirane is sourced from PubChem (CID 10888484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).