(2-phenacyloxyphenyl) acetate

C16H14O4 — CID 2303836

IUPAC(2-phenacyloxyphenyl) acetate
SMILESCC(=O)Oc1ccccc1OCC(=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-12(17)20-16-10-6-5-9-15(16)19-11-14(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyOVNMGLIMSSAGGA-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.87
Rot. Bonds5

About (2-phenacyloxyphenyl) acetate

(2-phenacyloxyphenyl) acetate (PubChem CID 2303836) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2-phenacyloxyphenyl) acetate.

Molecular Properties

Compound Name(2-phenacyloxyphenyl) acetate
PubChem CID2303836
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(2-phenacyloxyphenyl) acetate
SMILESCC(=O)Oc1ccccc1OCC(=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-12(17)20-16-10-6-5-9-15(16)19-11-14(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyOVNMGLIMSSAGGA-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(2-oxopropoxy)phenyl] benzoate
CID 2142046
2-phenacyloxybenzoic acid
CID 23764826
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
2-phenacyloxybenzamide
CID 43218588
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
CID 20613046
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
2-phenacyloxy-1-phenylethanone
CID 12781821
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987
(2-phenacyloxyphenyl)methyl-triphenylphosphanium
CID 172741164

Frequently Asked Questions

What is the IUPAC name of (2-phenacyloxyphenyl) acetate?
The IUPAC name of (2-phenacyloxyphenyl) acetate (CID 2303836) is (2-phenacyloxyphenyl) acetate.
What is the SMILES notation for (2-phenacyloxyphenyl) acetate?
The canonical SMILES for (2-phenacyloxyphenyl) acetate is CC(=O)Oc1ccccc1OCC(=O)c1ccccc1.
What is the InChIKey of (2-phenacyloxyphenyl) acetate?
The InChIKey is OVNMGLIMSSAGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-12(17)20-16-10-6-5-9-15(16)19-11-14(18)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of (2-phenacyloxyphenyl) acetate?
(2-phenacyloxyphenyl) acetate has a molecular weight of 270.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenacyloxyphenyl) acetate is sourced from PubChem (CID 2303836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).