[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate

C20H20O6 — CID 1106174

IUPAC[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)O[C@@H]1OCCO[C@H]1OC(=O)Cc1ccccc1
InChIInChI=1S/C20H20O6/c21-17(13-15-7-3-1-4-8-15)25-19-20(24-12-11-23-19)26-18(22)14-16-9-5-2-6-10-16/h1-10,19-20H,11-14H2/t19-,20-/m0/s1
InChIKeyMWVUIWQNEILNMF-PMACEKPBSA-N
MW356.37 g/mol
LogP2.26
Rot. Bonds6

About [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate

[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate (PubChem CID 1106174) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
PubChem CID1106174
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)O[C@@H]1OCCO[C@H]1OC(=O)Cc1ccccc1
InChIInChI=1S/C20H20O6/c21-17(13-15-7-3-1-4-8-15)25-19-20(24-12-11-23-19)26-18(22)14-16-9-5-2-6-10-16/h1-10,19-20H,11-14H2/t19-,20-/m0/s1
InChIKeyMWVUIWQNEILNMF-PMACEKPBSA-N
XLogP2.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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piperidin-2-yl 2-phenylacetate
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(2-phenylacetyl)oxy 2-phenylethaneperoxoate
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(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate
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CID 174393592
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
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[(2S)-oxiran-2-yl]methyl 2-(4-benzylphenyl)acetate
CID 56950595

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
The IUPAC name of [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate (CID 1106174) is [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate.
What is the SMILES notation for [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
The canonical SMILES for [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate is O=C(Cc1ccccc1)O[C@@H]1OCCO[C@H]1OC(=O)Cc1ccccc1.
What is the InChIKey of [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
The InChIKey is MWVUIWQNEILNMF-PMACEKPBSA-N. The full InChI is InChI=1S/C20H20O6/c21-17(13-15-7-3-1-4-8-15)25-19-20(24-12-11-23-19)26-18(22)14-16-9-5-2-6-10-16/h1-10,19-20H,11-14H2/t19-,20-/m0/s1.
What are the key properties of [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
[(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate has a molecular weight of 356.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate is sourced from PubChem (CID 1106174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).