2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one

C13H14O4 — CID 118584259

IUPAC2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CCC([C@H](O)C(O)c2ccccc2)O1
InChIInChI=1S/C13H14O4/c14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9/h1-6,8,10,12-13,15-16H,7H2/t10?,12?,13-/m0/s1
InChIKeyRTNQVKQMVIXUPZ-GDKBPFBDSA-N
MW234.25 g/mol
LogP0.95
Rot. Bonds3

About 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one

2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one (PubChem CID 118584259) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
PubChem CID118584259
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CCC([C@H](O)C(O)c2ccccc2)O1
InChIInChI=1S/C13H14O4/c14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9/h1-6,8,10,12-13,15-16H,7H2/t10?,12?,13-/m0/s1
InChIKeyRTNQVKQMVIXUPZ-GDKBPFBDSA-N
XLogP0.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
CID 10107481
[(1R,2R)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
CID 44566800
(2R)-2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
CID 138113869
(2S)-2-[(1S,2R)-1,2-dihydroxyhexyl]-2,3-dihydropyran-6-one
CID 101248046
(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
CID 122366245
2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one
CID 67588476
2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
CID 74817578
1,2-diphenylethane-1,2-diol
CID 159073808
(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
CID 132578778
(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
CID 11206694
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The IUPAC name of 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one (CID 118584259) is 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one is O=C1C=CCC([C@H](O)C(O)c2ccccc2)O1.
What is the InChIKey of 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The InChIKey is RTNQVKQMVIXUPZ-GDKBPFBDSA-N. The full InChI is InChI=1S/C13H14O4/c14-11-8-4-7-10(17-11)13(16)12(15)9-5-2-1-3-6-9/h1-6,8,10,12-13,15-16H,7H2/t10?,12?,13-/m0/s1.
What are the key properties of 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one?
2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one has a molecular weight of 234.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 118584259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).