ethenyl 2-(2-benzoylphenoxy)acetate

C17H14O4 — CID 141075615

IUPACethenyl 2-(2-benzoylphenoxy)acetate
SMILESC=COC(=O)COc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H14O4/c1-2-20-16(18)12-21-15-11-7-6-10-14(15)17(19)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyXKVSSDNORRDEBZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.98
Rot. Bonds6

About ethenyl 2-(2-benzoylphenoxy)acetate

ethenyl 2-(2-benzoylphenoxy)acetate (PubChem CID 141075615) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethenyl 2-(2-benzoylphenoxy)acetate.

Molecular Properties

Compound Nameethenyl 2-(2-benzoylphenoxy)acetate
PubChem CID141075615
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Nameethenyl 2-(2-benzoylphenoxy)acetate
SMILESC=COC(=O)COc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H14O4/c1-2-20-16(18)12-21-15-11-7-6-10-14(15)17(19)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyXKVSSDNORRDEBZ-UHFFFAOYSA-N
XLogP2.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.98
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

ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
phenyl-(2-propoxyphenyl)methanone
CID 15556308
[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
CID 166068572
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
phenyl-(2-silylphenyl)methanone
CID 137327642
phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
CID 67804020
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-phenacyloxybenzoic acid
CID 23764826

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(2-benzoylphenoxy)acetate?
The IUPAC name of ethenyl 2-(2-benzoylphenoxy)acetate (CID 141075615) is ethenyl 2-(2-benzoylphenoxy)acetate.
What is the SMILES notation for ethenyl 2-(2-benzoylphenoxy)acetate?
The canonical SMILES for ethenyl 2-(2-benzoylphenoxy)acetate is C=COC(=O)COc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of ethenyl 2-(2-benzoylphenoxy)acetate?
The InChIKey is XKVSSDNORRDEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-2-20-16(18)12-21-15-11-7-6-10-14(15)17(19)13-8-4-3-5-9-13/h2-11H,1,12H2.
What are the key properties of ethenyl 2-(2-benzoylphenoxy)acetate?
ethenyl 2-(2-benzoylphenoxy)acetate has a molecular weight of 282.30 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(2-benzoylphenoxy)acetate is sourced from PubChem (CID 141075615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).