[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate

C18H16O5 — CID 11266944

IUPAC[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)C(OC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O5/c1-12(19)22-16-10-8-14(9-11-16)17(21)18(23-13(2)20)15-6-4-3-5-7-15/h3-11,18H,1-2H3
InChIKeyRXJDUVAFRAVNPY-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.10
Rot. Bonds5

About [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate

[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate (PubChem CID 11266944) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
PubChem CID11266944
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)C(OC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O5/c1-12(19)22-16-10-8-14(9-11-16)17(21)18(23-13(2)20)15-6-4-3-5-7-15/h3-11,18H,1-2H3
InChIKeyRXJDUVAFRAVNPY-UHFFFAOYSA-N
XLogP3.10
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193
[4-(1-acetyloxy-2-oxopropyl)phenyl] acetate
CID 70499233
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] acetate
CID 2754201
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
CID 690409
[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate
CID 67347861
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
phenyl acetate;hydroiodide
CID 172788123
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate?
The IUPAC name of [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate (CID 11266944) is [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate.
What is the SMILES notation for [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate?
The canonical SMILES for [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)C(OC(C)=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate?
The InChIKey is RXJDUVAFRAVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-12(19)22-16-10-8-14(9-11-16)17(21)18(23-13(2)20)15-6-4-3-5-7-15/h3-11,18H,1-2H3.
What are the key properties of [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate?
[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate has a molecular weight of 312.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate is sourced from PubChem (CID 11266944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).