2-[(4-ethenylphenyl)methoxymethyl]oxirane

C12H14O2 — CID 11830219

IUPAC2-[(4-ethenylphenyl)methoxymethyl]oxirane
SMILESC=Cc1ccc(COCC2CO2)cc1
InChIInChI=1S/C12H14O2/c1-2-10-3-5-11(6-4-10)7-13-8-12-9-14-12/h2-6,12H,1,7-9H2
InChIKeyZADXFVHUPXKZBJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.24
Rot. Bonds5

About 2-[(4-ethenylphenyl)methoxymethyl]oxirane

2-[(4-ethenylphenyl)methoxymethyl]oxirane (PubChem CID 11830219) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methoxymethyl]oxirane
PubChem CID11830219
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-[(4-ethenylphenyl)methoxymethyl]oxirane
SMILESC=Cc1ccc(COCC2CO2)cc1
InChIInChI=1S/C12H14O2/c1-2-10-3-5-11(6-4-10)7-13-8-12-9-14-12/h2-6,12H,1,7-9H2
InChIKeyZADXFVHUPXKZBJ-UHFFFAOYSA-N
XLogP2.24
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenylphenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[(4-ethenylphenyl)methoxymethyl]oxirane (CID 11830219) is 2-[(4-ethenylphenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(4-ethenylphenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(4-ethenylphenyl)methoxymethyl]oxirane is C=Cc1ccc(COCC2CO2)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methoxymethyl]oxirane?
The InChIKey is ZADXFVHUPXKZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-10-3-5-11(6-4-10)7-13-8-12-9-14-12/h2-6,12H,1,7-9H2.
What are the key properties of 2-[(4-ethenylphenyl)methoxymethyl]oxirane?
2-[(4-ethenylphenyl)methoxymethyl]oxirane has a molecular weight of 190.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 11830219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).