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

C20H20O6 — CID 3119014

IUPAC[3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1OCCOC1OC(=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
InChIKeyMWVUIWQNEILNMF-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.26
Rot. Bonds6

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

[3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate (PubChem CID 3119014) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate.

Molecular Properties

Compound Name[3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
PubChem CID3119014
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name[3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)OC1OCCOC1OC(=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
InChIKeyMWVUIWQNEILNMF-UHFFFAOYSA-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

Analyze [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
The IUPAC name of [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate (CID 3119014) is [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate.
What is the SMILES notation for [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
The canonical SMILES for [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate is O=C(Cc1ccccc1)OC1OCCOC1OC(=O)Cc1ccccc1.
What is the InChIKey of [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
The InChIKey is MWVUIWQNEILNMF-UHFFFAOYSA-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.
What are the key properties of [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate?
[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 [3-(2-phenylacetyl)oxy-1,4-dioxan-2-yl] 2-phenylacetate is sourced from PubChem (CID 3119014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).