2-benzoyloxyethyl 2-benzoylbenzoate

C23H18O5 — CID 2456527

IUPAC2-benzoyloxyethyl 2-benzoylbenzoate
SMILESO=C(OCCOC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O5/c24-21(17-9-3-1-4-10-17)19-13-7-8-14-20(19)23(26)28-16-15-27-22(25)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyLEQOEZYKLREVOP-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.93
Rot. Bonds7

About 2-benzoyloxyethyl 2-benzoylbenzoate

2-benzoyloxyethyl 2-benzoylbenzoate (PubChem CID 2456527) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-benzoyloxyethyl 2-benzoylbenzoate.

Molecular Properties

Compound Name2-benzoyloxyethyl 2-benzoylbenzoate
PubChem CID2456527
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name2-benzoyloxyethyl 2-benzoylbenzoate
SMILESO=C(OCCOC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18O5/c24-21(17-9-3-1-4-10-17)19-13-7-8-14-20(19)23(26)28-16-15-27-22(25)18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyLEQOEZYKLREVOP-UHFFFAOYSA-N
XLogP3.93
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480
2-benzoyloxyethyl benzoate;ethene
CID 67969171
amino 2-benzoylbenzoate
CID 19737509
2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-benzoyloxyethyl benzoate;dioctyl benzene-1,2-dicarboxylate
CID 70008331
2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride
CID 110173843
[3-amino-5-hydroxy-3-(2-hydroxyethyl)pentyl] 2-benzoylbenzoate
CID 71271662
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-hydroxy-2-iodoethyl) 2-benzoylbenzoate
CID 152866313
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
2-(4-chlorophenyl)sulfanylethyl 2-benzoylbenzoate
CID 7695819

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl 2-benzoylbenzoate?
The IUPAC name of 2-benzoyloxyethyl 2-benzoylbenzoate (CID 2456527) is 2-benzoyloxyethyl 2-benzoylbenzoate.
What is the SMILES notation for 2-benzoyloxyethyl 2-benzoylbenzoate?
The canonical SMILES for 2-benzoyloxyethyl 2-benzoylbenzoate is O=C(OCCOC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzoyloxyethyl 2-benzoylbenzoate?
The InChIKey is LEQOEZYKLREVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c24-21(17-9-3-1-4-10-17)19-13-7-8-14-20(19)23(26)28-16-15-27-22(25)18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 2-benzoyloxyethyl 2-benzoylbenzoate?
2-benzoyloxyethyl 2-benzoylbenzoate has a molecular weight of 374.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl 2-benzoylbenzoate is sourced from PubChem (CID 2456527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).