ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate

C19H20O4 — CID 134972816

IUPACethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate
SMILESCCOC(=O)C(Cc1ccccc1)OC(=O)Cc1ccccc1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)17(13-15-9-5-3-6-10-15)23-18(20)14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyWBVAWXRABRJQAZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.95
Rot. Bonds7

About ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate

ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate (PubChem CID 134972816) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate
PubChem CID134972816
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate
SMILESCCOC(=O)C(Cc1ccccc1)OC(=O)Cc1ccccc1
InChIInChI=1S/C19H20O4/c1-2-22-19(21)17(13-15-9-5-3-6-10-15)23-18(20)14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyWBVAWXRABRJQAZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate 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

ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate
CID 123675340
ethyl 2-phenylacetate
CID 7590
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
ethyl 2-phenylacetate;hydrate
CID 141257001
1-phenylbutan-2-yl 2-phenylacetate
CID 86053968
ethyl 2-diaminophosphoryloxy-3-phenylpropanoate
CID 175144269
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
diethyl (2S)-2-benzylbutanedioate
CID 24748926
ethyl (2R,3R)-2-benzyl-3,4-dimethylpentanoate
CID 11459321
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343
ethyl 2-benzyl-3-hydroxy-3-propanoyloxypropanoate
CID 600827

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate?
The IUPAC name of ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate (CID 134972816) is ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate.
What is the SMILES notation for ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate?
The canonical SMILES for ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate is CCOC(=O)C(Cc1ccccc1)OC(=O)Cc1ccccc1.
What is the InChIKey of ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate?
The InChIKey is WBVAWXRABRJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-2-22-19(21)17(13-15-9-5-3-6-10-15)23-18(20)14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3.
What are the key properties of ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate?
ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate has a molecular weight of 312.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate is sourced from PubChem (CID 134972816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).