ethenoxymethyl 2-oxo-2-phenylacetate

C11H10O4 — CID 89488729

IUPACethenoxymethyl 2-oxo-2-phenylacetate
SMILESC=COCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C11H10O4/c1-2-14-8-15-11(13)10(12)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyZDTHMMWXVMZKJA-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.53
Rot. Bonds5

About ethenoxymethyl 2-oxo-2-phenylacetate

ethenoxymethyl 2-oxo-2-phenylacetate (PubChem CID 89488729) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethenoxymethyl 2-oxo-2-phenylacetate.

Molecular Properties

Compound Nameethenoxymethyl 2-oxo-2-phenylacetate
PubChem CID89488729
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Nameethenoxymethyl 2-oxo-2-phenylacetate
SMILESC=COCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C11H10O4/c1-2-14-8-15-11(13)10(12)9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyZDTHMMWXVMZKJA-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
CID 71201170
ethyl 2-oxo-2-phenylacetate
CID 15349
ethenoxymethyl hydrogen carbonate
CID 118689844
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
[4-(ethenoxymethyl)phenyl]methyl benzoate
CID 139924856
carbamoyl 2-oxo-2-phenylacetate
CID 151490508
azane;3-chloroprop-1-ene;1,2-diphenylethane-1,2-dione
CID 70188941
[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
CID 15312626
2-methylbut-3-en-2-yl 2-oxo-2-phenylacetate
CID 10584906
2-[2-(2-oxo-2-phenylacetyl)oxyethoxy]ethyl (3E)-3-ethenyl-2-oxohexa-3,5-dienoate
CID 143834320
CID 59487978
CID 59487978
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of ethenoxymethyl 2-oxo-2-phenylacetate?
The IUPAC name of ethenoxymethyl 2-oxo-2-phenylacetate (CID 89488729) is ethenoxymethyl 2-oxo-2-phenylacetate.
What is the SMILES notation for ethenoxymethyl 2-oxo-2-phenylacetate?
The canonical SMILES for ethenoxymethyl 2-oxo-2-phenylacetate is C=COCOC(=O)C(=O)c1ccccc1.
What is the InChIKey of ethenoxymethyl 2-oxo-2-phenylacetate?
The InChIKey is ZDTHMMWXVMZKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-2-14-8-15-11(13)10(12)9-6-4-3-5-7-9/h2-7H,1,8H2.
What are the key properties of ethenoxymethyl 2-oxo-2-phenylacetate?
ethenoxymethyl 2-oxo-2-phenylacetate has a molecular weight of 206.20 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxymethyl 2-oxo-2-phenylacetate is sourced from PubChem (CID 89488729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).