2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate

C20H20O5 — CID 90415182

IUPAC2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate
SMILESCc1cc(C)c(C(=O)C(=O)OCCOC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H20O5/c1-13-11-14(2)17(15(3)12-13)18(21)20(23)25-10-9-24-19(22)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyUPSQTBKUJPREEU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.19
Rot. Bonds6

About 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate

2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate (PubChem CID 90415182) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate.

Molecular Properties

Compound Name2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate
PubChem CID90415182
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate
SMILESCc1cc(C)c(C(=O)C(=O)OCCOC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H20O5/c1-13-11-14(2)17(15(3)12-13)18(21)20(23)25-10-9-24-19(22)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKeyUPSQTBKUJPREEU-UHFFFAOYSA-N
XLogP3.19
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,3-dimethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxybutyl] benzoate
CID 90415366
2-benzoyloxyethyl benzoate;ethene
CID 67969171
azane;2-methoxyethyl benzoate
CID 174560204
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
3-benzoyloxypropanoic acid
CID 21263483
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-benzoyloxyethyl 3,5-diaminobenzoate
CID 21249778
ethyl benzoate;toluene
CID 23150750
CID 158970570
CID 158970570
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472786

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate?
The IUPAC name of 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate (CID 90415182) is 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate.
What is the SMILES notation for 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate?
The canonical SMILES for 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate is Cc1cc(C)c(C(=O)C(=O)OCCOC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate?
The InChIKey is UPSQTBKUJPREEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-13-11-14(2)17(15(3)12-13)18(21)20(23)25-10-9-24-19(22)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate?
2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate has a molecular weight of 340.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,4,6-trimethylphenyl)acetyl]oxyethyl benzoate is sourced from PubChem (CID 90415182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).