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

C19H20O4 — CID 55316789

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-3-15-9-11-17(12-10-15)22-13-18(20)23-14(2)19(21)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyPMYQSJDWXPQLTH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.44
Rot. Bonds7

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

(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate (PubChem CID 55316789) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
PubChem CID55316789
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-3-15-9-11-17(12-10-15)22-13-18(20)23-14(2)19(21)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyPMYQSJDWXPQLTH-UHFFFAOYSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729259
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 4985443
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
CID 42984082
[(2S)-1-oxo-1-phenylpropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 42040137
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate (CID 55316789) is (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate?
The InChIKey is PMYQSJDWXPQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-15-9-11-17(12-10-15)22-13-18(20)23-14(2)19(21)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-ethylphenoxy)acetate?
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate has a molecular weight of 312.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 55316789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).