(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate

C20H20O5 — CID 55318248

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20O5/c1-3-18(21)15-9-11-17(12-10-15)24-13-19(22)25-14(2)20(23)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyQYBHPKUTYSZTIF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.47
Rot. Bonds8

About (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate

(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate (PubChem CID 55318248) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
PubChem CID55318248
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20O5/c1-3-18(21)15-9-11-17(12-10-15)24-13-19(22)25-14(2)20(23)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyQYBHPKUTYSZTIF-UHFFFAOYSA-N
XLogP3.47
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9326463
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417200
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729259
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
CID 42984082
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9325873
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 46610561
[(2S)-1-oxo-1-phenylpropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 42040137
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417151

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate (CID 55318248) is (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate?
The InChIKey is QYBHPKUTYSZTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-18(21)15-9-11-17(12-10-15)24-13-19(22)25-14(2)20(23)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate?
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate has a molecular weight of 340.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 55318248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).