ethenyl 2-acetyloxy-2-phenylacetate

C12H12O4 — CID 174358025

IUPACethenyl 2-acetyloxy-2-phenylacetate
SMILESC=COC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C12H12O4/c1-3-15-12(14)11(16-9(2)13)10-7-5-4-6-8-10/h3-8,11H,1H2,2H3
InChIKeyKFTQBGXYOYNNEU-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.98
Rot. Bonds4

About ethenyl 2-acetyloxy-2-phenylacetate

ethenyl 2-acetyloxy-2-phenylacetate (PubChem CID 174358025) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is ethenyl 2-acetyloxy-2-phenylacetate.

Molecular Properties

Compound Nameethenyl 2-acetyloxy-2-phenylacetate
PubChem CID174358025
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nameethenyl 2-acetyloxy-2-phenylacetate
SMILESC=COC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C12H12O4/c1-3-15-12(14)11(16-9(2)13)10-7-5-4-6-8-10/h3-8,11H,1H2,2H3
InChIKeyKFTQBGXYOYNNEU-UHFFFAOYSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
ethenyl 2-phenylpropanoate
CID 11116578
ethenyl acetate;1-phenylethanol
CID 170349745
ethenyl 2-phenylbutanoate
CID 10932238
benzhydryl acetate;hydrazine
CID 122610283
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
[(1E,3R)-1-phenylhexa-1,5-dien-3-yl] (2S)-2-acetyloxy-2-phenylacetate
CID 10315870
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
ethenyl 3-hydroxy-2-phenylpropanoate
CID 168863164
ethenyl 1-phenylethyl carbonate
CID 11008749
prop-2-ynyl 2-acetyloxy-2-phenylacetate
CID 10911413

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-acetyloxy-2-phenylacetate?
The IUPAC name of ethenyl 2-acetyloxy-2-phenylacetate (CID 174358025) is ethenyl 2-acetyloxy-2-phenylacetate.
What is the SMILES notation for ethenyl 2-acetyloxy-2-phenylacetate?
The canonical SMILES for ethenyl 2-acetyloxy-2-phenylacetate is C=COC(=O)C(OC(C)=O)c1ccccc1.
What is the InChIKey of ethenyl 2-acetyloxy-2-phenylacetate?
The InChIKey is KFTQBGXYOYNNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-15-12(14)11(16-9(2)13)10-7-5-4-6-8-10/h3-8,11H,1H2,2H3.
What are the key properties of ethenyl 2-acetyloxy-2-phenylacetate?
ethenyl 2-acetyloxy-2-phenylacetate has a molecular weight of 220.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-acetyloxy-2-phenylacetate is sourced from PubChem (CID 174358025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).