(2-phenylacetyl)oxy 2-phenylethaneperoxoate

C16H14O5 — CID 87450697

IUPAC(2-phenylacetyl)oxy 2-phenylethaneperoxoate
SMILESO=C(Cc1ccccc1)OOOC(=O)Cc1ccccc1
InChIInChI=1S/C16H14O5/c17-15(11-13-7-3-1-4-8-13)19-21-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyGDDOGNUATIDRHC-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.40
Rot. Bonds6

About (2-phenylacetyl)oxy 2-phenylethaneperoxoate

(2-phenylacetyl)oxy 2-phenylethaneperoxoate (PubChem CID 87450697) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2-phenylacetyl)oxy 2-phenylethaneperoxoate.

Molecular Properties

Compound Name(2-phenylacetyl)oxy 2-phenylethaneperoxoate
PubChem CID87450697
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(2-phenylacetyl)oxy 2-phenylethaneperoxoate
SMILESO=C(Cc1ccccc1)OOOC(=O)Cc1ccccc1
InChIInChI=1S/C16H14O5/c17-15(11-13-7-3-1-4-8-13)19-21-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyGDDOGNUATIDRHC-UHFFFAOYSA-N
XLogP2.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2-phenylacetyl)oxy formate
CID 173278028
CID 174393592
CID 174393592
methylsilyl 2-phenylacetate
CID 148919799
acetic acid;phenyl 2-phenylethaneperoxoate
CID 87374705
CID 172801156
CID 172801156
ethylsilyl 2-phenylacetate
CID 154128233
phenyl 2-phenylacetate;zinc
CID 70522084
ethyl 2-phenylacetate
CID 7590
(2-phenylacetyl) propanoate
CID 91029268
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
(2-phenylacetyl) 2-phenylacetate;pyridine
CID 88818246
ethyl 2-phenylacetate;hydrate
CID 141257001

Frequently Asked Questions

What is the IUPAC name of (2-phenylacetyl)oxy 2-phenylethaneperoxoate?
The IUPAC name of (2-phenylacetyl)oxy 2-phenylethaneperoxoate (CID 87450697) is (2-phenylacetyl)oxy 2-phenylethaneperoxoate.
What is the SMILES notation for (2-phenylacetyl)oxy 2-phenylethaneperoxoate?
The canonical SMILES for (2-phenylacetyl)oxy 2-phenylethaneperoxoate is O=C(Cc1ccccc1)OOOC(=O)Cc1ccccc1.
What is the InChIKey of (2-phenylacetyl)oxy 2-phenylethaneperoxoate?
The InChIKey is GDDOGNUATIDRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-15(11-13-7-3-1-4-8-13)19-21-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of (2-phenylacetyl)oxy 2-phenylethaneperoxoate?
(2-phenylacetyl)oxy 2-phenylethaneperoxoate has a molecular weight of 286.28 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylacetyl)oxy 2-phenylethaneperoxoate is sourced from PubChem (CID 87450697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).