[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate

C19H20O5 — CID 7729259

IUPAC[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C19H20O5/c1-3-22-16-11-7-8-12-17(16)23-13-18(20)24-14(2)19(21)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyBEKUXIKNBPSXIM-AWEZNQCLSA-N
MW328.36 g/mol
LogP3.28
Rot. Bonds8

About [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate

[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate (PubChem CID 7729259) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
PubChem CID7729259
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
SMILESCCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C19H20O5/c1-3-22-16-11-7-8-12-17(16)23-13-18(20)24-14(2)19(21)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1
InChIKeyBEKUXIKNBPSXIM-AWEZNQCLSA-N
XLogP3.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.28
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-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
(1-oxo-1-phenylpropan-2-yl) 2-bromoacetate
CID 121218288
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 4985443
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854087
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729333
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8940523
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7844573

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
The IUPAC name of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate (CID 7729259) is [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
The canonical SMILES for [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate is CCOc1ccccc1OCC(=O)O[C@@H](C)C(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
The InChIKey is BEKUXIKNBPSXIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-22-16-11-7-8-12-17(16)23-13-18(20)24-14(2)19(21)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate?
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate has a molecular weight of 328.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate is sourced from PubChem (CID 7729259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).