(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane

C12H16O2 — CID 131860879

IUPAC(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
SMILESCOC[C@H]1O[C@@H]1CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-13-9-12-11(14-12)8-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyFOOMRKSEJZXEKL-VXGBXAGGSA-N
MW192.26 g/mol
LogP2.03
Rot. Bonds5

About (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane

(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane (PubChem CID 131860879) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
PubChem CID131860879
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
SMILESCOC[C@H]1O[C@@H]1CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-13-9-12-11(14-12)8-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyFOOMRKSEJZXEKL-VXGBXAGGSA-N
XLogP2.03
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.03
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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Related Compounds

(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
CID 14265871
(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
CID 71403895
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
[(2S,3S)-3-(2-phenylethyl)oxiran-2-yl]methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 11112385
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
(3R,4S)-4-(2-phenylethyl)-3-trimethylsilyloxetan-2-one
CID 134988727
2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol
CID 90704833
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
2-methoxyethylbenzene
CID 19089
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
ethyl (2R,3R)-3-(2-phenylethyl)oxirane-2-carboxylate
CID 138975697
2,5-bis(2-phenylethyl)-2,5-dihydrofuran
CID 177484094

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane?
The IUPAC name of (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane (CID 131860879) is (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane.
What is the SMILES notation for (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane?
The canonical SMILES for (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane is COC[C@H]1O[C@@H]1CCc1ccccc1.
What is the InChIKey of (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane?
The InChIKey is FOOMRKSEJZXEKL-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-9-12-11(14-12)8-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane?
(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane has a molecular weight of 192.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane is sourced from PubChem (CID 131860879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).