3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate

C19H16O6 — CID 71201170

IUPAC3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
SMILESO=C(OCCCOC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H16O6/c20-16(14-8-3-1-4-9-14)18(22)24-12-7-13-25-19(23)17(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyRCWDRVBZWOOYMC-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.23
Rot. Bonds8

About 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate

3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate (PubChem CID 71201170) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
PubChem CID71201170
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
SMILESO=C(OCCCOC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H16O6/c20-16(14-8-3-1-4-9-14)18(22)24-12-7-13-25-19(23)17(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyRCWDRVBZWOOYMC-UHFFFAOYSA-N
XLogP2.23
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-phenylacetate
CID 15349
4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl 2-oxo-2-phenylacetate
CID 58975751
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
carbamoyl 2-oxo-2-phenylacetate
CID 151490508
ethenoxymethyl 2-oxo-2-phenylacetate
CID 89488729
CID 59487978
CID 59487978
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
[(2S)-2-methylbutyl] 2-oxo-2-phenylacetate
CID 156598358

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate?
The IUPAC name of 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate (CID 71201170) is 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate.
What is the SMILES notation for 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate?
The canonical SMILES for 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate is O=C(OCCCOC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate?
The InChIKey is RCWDRVBZWOOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c20-16(14-8-3-1-4-9-14)18(22)24-12-7-13-25-19(23)17(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate?
3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate has a molecular weight of 340.33 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate is sourced from PubChem (CID 71201170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).