ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate

C15H20O4 — CID 140674199

IUPACethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
SMILESCCCOC(=O)Cc1ccccc1CC(=O)OCC
InChIInChI=1S/C15H20O4/c1-3-9-19-15(17)11-13-8-6-5-7-12(13)10-14(16)18-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZUARNRKVQPHNNF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.29
Rot. Bonds7

About ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate

ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate (PubChem CID 140674199) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
PubChem CID140674199
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
SMILESCCCOC(=O)Cc1ccccc1CC(=O)OCC
InChIInChI=1S/C15H20O4/c1-3-9-19-15(17)11-13-8-6-5-7-12(13)10-14(16)18-4-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyZUARNRKVQPHNNF-UHFFFAOYSA-N
XLogP2.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]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

ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(chloromethyl)phenyl]acetate
CID 13386156
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130
ethyl 2-[2-(2-bromoethyl)phenyl]acetate
CID 174487319
ethyl 2-[2-(3-oxobutyl)phenyl]acetate
CID 101402561
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
propyl 2-[2-(propan-2-ylcarbamoyl)phenyl]acetate
CID 57116384
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate (CID 140674199) is ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate is CCCOC(=O)Cc1ccccc1CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate?
The InChIKey is ZUARNRKVQPHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-9-19-15(17)11-13-8-6-5-7-12(13)10-14(16)18-4-2/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate?
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate is sourced from PubChem (CID 140674199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).