2-(phenoxymethyl)-3-prop-2-enyloxirane

C12H14O2 — CID 174763273

IUPAC2-(phenoxymethyl)-3-prop-2-enyloxirane
SMILESC=CCC1OC1COc1ccccc1
InChIInChI=1S/C12H14O2/c1-2-6-11-12(14-11)9-13-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2
InChIKeyTWPILTBLMLMDRQ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.41
Rot. Bonds5

About 2-(phenoxymethyl)-3-prop-2-enyloxirane

2-(phenoxymethyl)-3-prop-2-enyloxirane (PubChem CID 174763273) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3-prop-2-enyloxirane.

Molecular Properties

Compound Name2-(phenoxymethyl)-3-prop-2-enyloxirane
PubChem CID174763273
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(phenoxymethyl)-3-prop-2-enyloxirane
SMILESC=CCC1OC1COc1ccccc1
InChIInChI=1S/C12H14O2/c1-2-6-11-12(14-11)9-13-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2
InChIKeyTWPILTBLMLMDRQ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

2-[(4-bromophenoxy)methyl]-3-prop-2-enyloxirane
CID 101293368
[3-(phenoxymethyl)oxiran-2-yl]methanol
CID 174606706
(4-prop-2-enylcyclohexyl)methoxybenzene
CID 70544247
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
CID 174846151
CID 174846151
2-prop-2-enyl-3-[(2,3,4-tribromophenoxy)methyl]oxirane
CID 101293396
[(2S,3S)-3-prop-2-enyloxiran-2-yl]methyl N-benzylcarbamate
CID 11184203
but-1-ene;2-(phenoxymethyl)oxirane
CID 142029605
2-pentadec-8-enyl-3-(phenoxymethyl)oxirane
CID 54155804
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
ethene;2-(phenoxymethyl)oxirane
CID 135283522
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-3-prop-2-enyloxirane?
The IUPAC name of 2-(phenoxymethyl)-3-prop-2-enyloxirane (CID 174763273) is 2-(phenoxymethyl)-3-prop-2-enyloxirane.
What is the SMILES notation for 2-(phenoxymethyl)-3-prop-2-enyloxirane?
The canonical SMILES for 2-(phenoxymethyl)-3-prop-2-enyloxirane is C=CCC1OC1COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-3-prop-2-enyloxirane?
The InChIKey is TWPILTBLMLMDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-6-11-12(14-11)9-13-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2.
What are the key properties of 2-(phenoxymethyl)-3-prop-2-enyloxirane?
2-(phenoxymethyl)-3-prop-2-enyloxirane has a molecular weight of 190.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3-prop-2-enyloxirane is sourced from PubChem (CID 174763273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).