ethene;2-(phenoxymethyl)oxirane

C11H14O2 — CID 135283522

IUPACethene;2-(phenoxymethyl)oxirane
SMILESC=C.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O2.C2H4/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h1-5,9H,6-7H2;1-2H2
InChIKeyZHXVFLXEIJSIOB-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.27
Rot. Bonds3

About ethene;2-(phenoxymethyl)oxirane

ethene;2-(phenoxymethyl)oxirane (PubChem CID 135283522) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethene;2-(phenoxymethyl)oxirane.

Molecular Properties

Compound Nameethene;2-(phenoxymethyl)oxirane
PubChem CID135283522
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameethene;2-(phenoxymethyl)oxirane
SMILESC=C.c1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H10O2.C2H4/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h1-5,9H,6-7H2;1-2H2
InChIKeyZHXVFLXEIJSIOB-UHFFFAOYSA-N
XLogP2.27
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-(phenoxymethyl)oxirane?
The IUPAC name of ethene;2-(phenoxymethyl)oxirane (CID 135283522) is ethene;2-(phenoxymethyl)oxirane.
What is the SMILES notation for ethene;2-(phenoxymethyl)oxirane?
The canonical SMILES for ethene;2-(phenoxymethyl)oxirane is C=C.c1ccc(OCC2CO2)cc1.
What is the InChIKey of ethene;2-(phenoxymethyl)oxirane?
The InChIKey is ZHXVFLXEIJSIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C2H4/c1-2-4-8(5-3-1)10-6-9-7-11-9;1-2/h1-5,9H,6-7H2;1-2H2.
What are the key properties of ethene;2-(phenoxymethyl)oxirane?
ethene;2-(phenoxymethyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(phenoxymethyl)oxirane is sourced from PubChem (CID 135283522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).