2-ethoxy-3-oxo-3-phenylpropanoic acid

C11H12O4 — CID 154323938

IUPAC2-ethoxy-3-oxo-3-phenylpropanoic acid
SMILESCCOC(C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-2-15-10(11(13)14)9(12)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,13,14)
InChIKeyKEOJGSQRPKFKPG-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.36
Rot. Bonds5

About 2-ethoxy-3-oxo-3-phenylpropanoic acid

2-ethoxy-3-oxo-3-phenylpropanoic acid (PubChem CID 154323938) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-ethoxy-3-oxo-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-oxo-3-phenylpropanoic acid
PubChem CID154323938
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-ethoxy-3-oxo-3-phenylpropanoic acid
SMILESCCOC(C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C11H12O4/c1-2-15-10(11(13)14)9(12)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,13,14)
InChIKeyKEOJGSQRPKFKPG-UHFFFAOYSA-N
XLogP1.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
3-ethoxy-4-(2-ethoxyphenyl)-1-phenylbutane-1,2,4-trione
CID 66973864
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
CID 68510519
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-oxo-3-phenylpropanoic acid?
The IUPAC name of 2-ethoxy-3-oxo-3-phenylpropanoic acid (CID 154323938) is 2-ethoxy-3-oxo-3-phenylpropanoic acid.
What is the SMILES notation for 2-ethoxy-3-oxo-3-phenylpropanoic acid?
The canonical SMILES for 2-ethoxy-3-oxo-3-phenylpropanoic acid is CCOC(C(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 2-ethoxy-3-oxo-3-phenylpropanoic acid?
The InChIKey is KEOJGSQRPKFKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-15-10(11(13)14)9(12)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,13,14).
What are the key properties of 2-ethoxy-3-oxo-3-phenylpropanoic acid?
2-ethoxy-3-oxo-3-phenylpropanoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-oxo-3-phenylpropanoic acid is sourced from PubChem (CID 154323938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).