(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one

C13H12O3 — CID 11206694

IUPAC(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H]([C@H]2O[C@@H]2c2ccccc2)O1
InChIInChI=1S/C13H12O3/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-6,8,10,12-13H,7H2/t10-,12-,13-/m1/s1
InChIKeyGMKNQTQLCWOLSD-RAIGVLPGSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds2

About (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one

(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one (PubChem CID 11206694) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
PubChem CID11206694
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
SMILESO=C1C=CC[C@H]([C@H]2O[C@@H]2c2ccccc2)O1
InChIInChI=1S/C13H12O3/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-6,8,10,12-13H,7H2/t10-,12-,13-/m1/s1
InChIKeyGMKNQTQLCWOLSD-RAIGVLPGSA-N
XLogP2.00
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-yl)-3-phenyloxirane
CID 87255492
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
(1S,2S,4R,5R,7R)-4-phenyl-3,6,10-trioxatricyclo[5.3.0.02,5]decan-9-one
CID 44605290
(1S,2S,4R,7R,9S,10R)-9-methoxy-4-phenyl-3,5,8,11-tetraoxatricyclo[8.5.0.02,7]pentadec-13-en-12-one
CID 102300160
(1S,2R,6S)-2-phenyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 125487330
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S,3R,3aR,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one
CID 51415619
2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 118584259
2-(3-phenyloxiran-2-yl)-1,3-dioxolane
CID 15785878
2-(2-bromophenyl)-2,3-dihydropyran-6-one
CID 54756664

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one (CID 11206694) is (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one is O=C1C=CC[C@H]([C@H]2O[C@@H]2c2ccccc2)O1.
What is the InChIKey of (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
The InChIKey is GMKNQTQLCWOLSD-RAIGVLPGSA-N. The full InChI is InChI=1S/C13H12O3/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-6,8,10,12-13H,7H2/t10-,12-,13-/m1/s1.
What are the key properties of (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one?
(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one has a molecular weight of 216.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11206694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).