2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane

C13H16O2 — CID 22561280

IUPAC2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
SMILESC=CCc1ccc(COCC2CO2)cc1
InChIInChI=1S/C13H16O2/c1-2-3-11-4-6-12(7-5-11)8-14-9-13-10-15-13/h2,4-7,13H,1,3,8-10H2
InChIKeyUFWIRMRAWIJBGR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.33
Rot. Bonds6

About 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane

2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane (PubChem CID 22561280) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
PubChem CID22561280
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
SMILESC=CCc1ccc(COCC2CO2)cc1
InChIInChI=1S/C13H16O2/c1-2-3-11-4-6-12(7-5-11)8-14-9-13-10-15-13/h2,4-7,13H,1,3,8-10H2
InChIKeyUFWIRMRAWIJBGR-UHFFFAOYSA-N
XLogP2.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.33
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 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane (CID 22561280) is 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane is C=CCc1ccc(COCC2CO2)cc1.
What is the InChIKey of 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane?
The InChIKey is UFWIRMRAWIJBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-11-4-6-12(7-5-11)8-14-9-13-10-15-13/h2,4-7,13H,1,3,8-10H2.
What are the key properties of 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane?
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane has a molecular weight of 204.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 22561280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).