[(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate

C15H14O4 — CID 56673719

IUPAC[(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C15H14O4/c1-11(16)18-13-9-10-15(17)19-14(13)8-7-12-5-3-2-4-6-12/h2-10,13-14H,1H3/b8-7+/t13-,14+/m0/s1
InChIKeyPKVIZAJGBQSDSX-JYASZMECSA-N
MW258.27 g/mol
LogP2.11
Rot. Bonds3

About [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate

[(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate (PubChem CID 56673719) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate
PubChem CID56673719
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name[(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C15H14O4/c1-11(16)18-13-9-10-15(17)19-14(13)8-7-12-5-3-2-4-6-12/h2-10,13-14H,1H3/b8-7+/t13-,14+/m0/s1
InChIKeyPKVIZAJGBQSDSX-JYASZMECSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate?
The IUPAC name of [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate (CID 56673719) is [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate?
The canonical SMILES for [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate is CC(=O)O[C@H]1C=CC(=O)O[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate?
The InChIKey is PKVIZAJGBQSDSX-JYASZMECSA-N. The full InChI is InChI=1S/C15H14O4/c1-11(16)18-13-9-10-15(17)19-14(13)8-7-12-5-3-2-4-6-12/h2-10,13-14H,1H3/b8-7+/t13-,14+/m0/s1.
What are the key properties of [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate?
[(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate has a molecular weight of 258.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-3-yl] acetate is sourced from PubChem (CID 56673719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).