[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol

C12H16O2 — CID 101403804

IUPAC[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol
SMILESCC[C@]1(CO)O[C@]1(C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-12(9-13)11(2,14-12)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyNEDHLKXATAIVGJ-VXGBXAGGSA-N
MW192.26 g/mol
LogP2.07
Rot. Bonds3

About [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol

[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol (PubChem CID 101403804) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol
PubChem CID101403804
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol
SMILESCC[C@]1(CO)O[C@]1(C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-12(9-13)11(2,14-12)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyNEDHLKXATAIVGJ-VXGBXAGGSA-N
XLogP2.07
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
methyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
CID 14984831
(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725
N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide
CID 85424074
(2,2,3-trimethyl-4,4-diphenyloxetan-3-yl)methanol
CID 15531973
ethyl 2-fluoro-3-methyl-3-phenyloxirane-2-carboxylate
CID 102173659
2,2,3,3,4,4,5-heptamethyl-5-phenyloxasilolane
CID 13168420
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol
CID 66787940
5,5-diethyl-3,3-diphenyloxolane-2,4-dione
CID 17399151
(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one
CID 100946476
2-(benzenesulfonyl)-3-methyl-3-phenyl-2-propyloxirane
CID 139704080

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol (CID 101403804) is [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol is CC[C@]1(CO)O[C@]1(C)c1ccccc1.
What is the InChIKey of [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol?
The InChIKey is NEDHLKXATAIVGJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-12(9-13)11(2,14-12)10-7-5-4-6-8-10/h4-8,13H,3,9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol?
[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol is sourced from PubChem (CID 101403804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).