(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate

C20H22O5 — CID 55317467

IUPAC(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22O5/c1-3-23-17-9-11-18(12-10-17)24-14-13-19(21)25-15(2)20(22)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyAOBJBSCRBHZQNI-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.67
Rot. Bonds9

About (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate

(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate (PubChem CID 55317467) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
PubChem CID55317467
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22O5/c1-3-23-17-9-11-18(12-10-17)24-14-13-19(21)25-15(2)20(22)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyAOBJBSCRBHZQNI-UHFFFAOYSA-N
XLogP3.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
CID 55316588
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729259
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7616735
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763826
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate
CID 42898251
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55317623
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 46810368

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate (CID 55317467) is (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is AOBJBSCRBHZQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-3-23-17-9-11-18(12-10-17)24-14-13-19(21)25-15(2)20(22)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate?
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 342.39 g/mol, XLogP of 3.67, 9 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) 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 55317467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).