(2-benzoyloxy-3-phenylpropyl) benzoate

C23H20O4 — CID 44718260

IUPAC(2-benzoyloxy-3-phenylpropyl) benzoate
SMILESO=C(OCC(Cc1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4/c24-22(19-12-6-2-7-13-19)26-17-21(16-18-10-4-1-5-11-18)27-23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyKUSHXHUTJFHUGL-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.31
Rot. Bonds7

About (2-benzoyloxy-3-phenylpropyl) benzoate

(2-benzoyloxy-3-phenylpropyl) benzoate (PubChem CID 44718260) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2-benzoyloxy-3-phenylpropyl) benzoate.

Molecular Properties

Compound Name(2-benzoyloxy-3-phenylpropyl) benzoate
PubChem CID44718260
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name(2-benzoyloxy-3-phenylpropyl) benzoate
SMILESO=C(OCC(Cc1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O4/c24-22(19-12-6-2-7-13-19)26-17-21(16-18-10-4-1-5-11-18)27-23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyKUSHXHUTJFHUGL-UHFFFAOYSA-N
XLogP4.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate
CID 71568607
[(2S)-2-benzoyloxy-3-(2,3,4,5,6-pentafluorophenyl)propyl] benzoate
CID 92836325
[3-(benzoyloxymethyl)-2-benzyl-4-phenylbutyl] benzoate
CID 141068150
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
[(2R)-2,4-dibenzoyloxyhex-5-enyl] benzoate
CID 139697958
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[(2S)-2-(2,5-dioxopyrrol-1-yl)-3-phenylpropyl] benzoate
CID 102251622
2,3-bis[(4-carbonochloridoylbenzoyl)oxy]propyl 4-carbonochloridoylbenzoate
CID 102069502
benzyl benzoate
CID 2345
2,3-bis[(3,5-dichloro-4-phenylmethoxybenzoyl)oxy]propyl 3,5-dichloro-4-phenylmethoxybenzoate
CID 11445948
[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxy-3-phenylpropyl) benzoate?
The IUPAC name of (2-benzoyloxy-3-phenylpropyl) benzoate (CID 44718260) is (2-benzoyloxy-3-phenylpropyl) benzoate.
What is the SMILES notation for (2-benzoyloxy-3-phenylpropyl) benzoate?
The canonical SMILES for (2-benzoyloxy-3-phenylpropyl) benzoate is O=C(OCC(Cc1ccccc1)OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzoyloxy-3-phenylpropyl) benzoate?
The InChIKey is KUSHXHUTJFHUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c24-22(19-12-6-2-7-13-19)26-17-21(16-18-10-4-1-5-11-18)27-23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2.
What are the key properties of (2-benzoyloxy-3-phenylpropyl) benzoate?
(2-benzoyloxy-3-phenylpropyl) benzoate has a molecular weight of 360.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxy-3-phenylpropyl) benzoate is sourced from PubChem (CID 44718260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).