[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate

C17H14O4 — CID 139185945

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
SMILESC[C@@H](OC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H14O4/c1-12(15(18)13-8-4-2-5-9-13)21-17(20)16(19)14-10-6-3-7-11-14/h2-12H,1H3/t12-/m1/s1
InChIKeyULQDKSKDWVFFSZ-GFCCVEGCSA-N
MW282.30 g/mol
LogP2.68
Rot. Bonds5

About [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate

[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate (PubChem CID 139185945) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
PubChem CID139185945
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
SMILESC[C@@H](OC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H14O4/c1-12(15(18)13-8-4-2-5-9-13)21-17(20)16(19)14-10-6-3-7-11-14/h2-12H,1H3/t12-/m1/s1
InChIKeyULQDKSKDWVFFSZ-GFCCVEGCSA-N
XLogP2.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 2-bromoacetate
CID 121218288
(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate
CID 55319933
4-(2-oxo-2-phenylacetyl)oxypentan-2-yl benzoate
CID 90416875
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
1-phenylethyl 2-(4-fluorophenyl)-2-oxoacetate
CID 122376657
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate
CID 2568505
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913
1-phenyl-2-propoxypropan-1-one
CID 43801137
bis[4-(2-chloro-2-methylpropanoyl)phenyl]methyl 2-oxo-2-phenylacetate
CID 141355000
(1-oxo-1-phenylpropan-2-yl) 3-methylthiophene-2-carboxylate
CID 55318694
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729259

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate (CID 139185945) is [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate is C[C@@H](OC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate?
The InChIKey is ULQDKSKDWVFFSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14O4/c1-12(15(18)13-8-4-2-5-9-13)21-17(20)16(19)14-10-6-3-7-11-14/h2-12H,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate?
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate has a molecular weight of 282.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate is sourced from PubChem (CID 139185945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).