2-(1-phenylprop-2-enoxymethyl)oxirane

C12H14O2 — CID 22186254

IUPAC2-(1-phenylprop-2-enoxymethyl)oxirane
SMILESC=CC(OCC1CO1)c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(14-9-11-8-13-11)10-6-4-3-5-7-10/h2-7,11-12H,1,8-9H2
InChIKeyGWCJNVUIVCCXER-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.33
Rot. Bonds5

About 2-(1-phenylprop-2-enoxymethyl)oxirane

2-(1-phenylprop-2-enoxymethyl)oxirane (PubChem CID 22186254) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(1-phenylprop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1-phenylprop-2-enoxymethyl)oxirane
PubChem CID22186254
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(1-phenylprop-2-enoxymethyl)oxirane
SMILESC=CC(OCC1CO1)c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(14-9-11-8-13-11)10-6-4-3-5-7-10/h2-7,11-12H,1,8-9H2
InChIKeyGWCJNVUIVCCXER-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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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Related Compounds

(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane
CID 125496560
ethenyl-(oxiran-2-ylmethoxy)-diphenylsilane
CID 21134261
2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
CID 88608040
1-ethenylperoxyprop-2-enylbenzene
CID 88766923
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
CID 87233413
bis(2-(methoxymethyl)oxirane);styrene
CID 174797956
2-(methoxymethyl)oxirane;styrene
CID 174459106
1-methoxyprop-2-enylbenzene
CID 11029990
ethene;2-(phenoxymethyl)oxirane
CID 135283522

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylprop-2-enoxymethyl)oxirane?
The IUPAC name of 2-(1-phenylprop-2-enoxymethyl)oxirane (CID 22186254) is 2-(1-phenylprop-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-(1-phenylprop-2-enoxymethyl)oxirane?
The canonical SMILES for 2-(1-phenylprop-2-enoxymethyl)oxirane is C=CC(OCC1CO1)c1ccccc1.
What is the InChIKey of 2-(1-phenylprop-2-enoxymethyl)oxirane?
The InChIKey is GWCJNVUIVCCXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(14-9-11-8-13-11)10-6-4-3-5-7-10/h2-7,11-12H,1,8-9H2.
What are the key properties of 2-(1-phenylprop-2-enoxymethyl)oxirane?
2-(1-phenylprop-2-enoxymethyl)oxirane has a molecular weight of 190.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylprop-2-enoxymethyl)oxirane is sourced from PubChem (CID 22186254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).