(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane

C12H14O — CID 135545500

IUPAC(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane
SMILESCC(C)=C[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C12H14O/c1-9(2)8-11-12(13-11)10-6-4-3-5-7-10/h3-8,11-12H,1-2H3/t11-,12+/m1/s1
InChIKeyBBJFCQLCCZGWTO-NEPJUHHUSA-N
MW174.24 g/mol
LogP3.09
Rot. Bonds2

About (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane

(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane (PubChem CID 135545500) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane
PubChem CID135545500
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane
SMILESCC(C)=C[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C12H14O/c1-9(2)8-11-12(13-11)10-6-4-3-5-7-10/h3-8,11-12H,1-2H3/t11-,12+/m1/s1
InChIKeyBBJFCQLCCZGWTO-NEPJUHHUSA-N
XLogP3.09
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,3R)-2-(4-methoxyphenyl)-3-(2-methylprop-1-enyl)oxirane
CID 15473511
(2S,3R)-2-[(Z)-2-ethynyloct-1-enyl]-3-phenyloxirane
CID 135931878
methyl (E)-3-[(2S,3S)-3-phenyloxiran-2-yl]prop-2-enoate
CID 11041861
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
(E)-3-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-enal
CID 22845978
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
CID 88976580
(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane
CID 20637649
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
(2R,4S,5R)-4-methyl-5-phenyloxolan-2-ol
CID 130920611

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane?
The IUPAC name of (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane (CID 135545500) is (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane.
What is the SMILES notation for (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane?
The canonical SMILES for (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane is CC(C)=C[C@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane?
The InChIKey is BBJFCQLCCZGWTO-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H14O/c1-9(2)8-11-12(13-11)10-6-4-3-5-7-10/h3-8,11-12H,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane?
(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane has a molecular weight of 174.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane is sourced from PubChem (CID 135545500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).