(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate

C28H22O3 — CID 2935756

IUPAC(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
SMILESO=C(c1ccccc1)C(OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22O3/c29-26(23-17-9-3-10-18-23)27(24-19-11-4-12-20-24)31-28(30)25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25,27H
InChIKeyVWJKJWMCQMEZSH-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.99
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate

(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate (PubChem CID 2935756) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
PubChem CID2935756
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
SMILESO=C(c1ccccc1)C(OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H22O3/c29-26(23-17-9-3-10-18-23)27(24-19-11-4-12-20-24)31-28(30)25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25,27H
InChIKeyVWJKJWMCQMEZSH-UHFFFAOYSA-N
XLogP5.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 2386634
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
(2-oxo-1,2-diphenylethyl) 2,2,2-trichloroacetate
CID 101263955
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
CID 174432426
[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926233
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) but-3-enoate
CID 175286629
[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate
CID 776025
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
(2-oxo-1,2-diphenylethyl) 3,4-dihydroxybenzoate
CID 23738197
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate (CID 2935756) is (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate is O=C(c1ccccc1)C(OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate?
The InChIKey is VWJKJWMCQMEZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c29-26(23-17-9-3-10-18-23)27(24-19-11-4-12-20-24)31-28(30)25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25,27H.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate?
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate has a molecular weight of 406.48 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate is sourced from PubChem (CID 2935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).