[(2S)-2-benzoyloxypropyl] benzoate

C17H16O4 — CID 73416127

IUPAC[(2S)-2-benzoyloxypropyl] benzoate
SMILESC[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyUMVMVEZHMZTUHD-ZDUSSCGKSA-N
MW284.31 g/mol
LogP3.09
Rot. Bonds5

About [(2S)-2-benzoyloxypropyl] benzoate

[(2S)-2-benzoyloxypropyl] benzoate (PubChem CID 73416127) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(2S)-2-benzoyloxypropyl] benzoate.

Molecular Properties

Compound Name[(2S)-2-benzoyloxypropyl] benzoate
PubChem CID73416127
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name[(2S)-2-benzoyloxypropyl] benzoate
SMILESC[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/t13-/m0/s1
InChIKeyUMVMVEZHMZTUHD-ZDUSSCGKSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
1-(2-methylpropanoyloxy)propan-2-yl benzoate
CID 142753435
6-O-(1-benzoyloxypropan-2-yl) 1-O-(2-benzoyloxypropyl) hexanedioate
CID 118243756
1-benzoylperoxypropan-2-yl benzoate
CID 175513779
1-phenoxypropan-2-yl benzoate
CID 59854364
6-(2-benzoyloxypropoxy)-6-oxohexanoic acid
CID 118209037
2-O-(1-benzoyloxypropan-2-yl) 1-O-[2-[6-(2-benzoyloxypropoxy)-6-oxohexanoyl]oxypropyl] benzene-1,2-dicarboxylate
CID 167287860
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
bis[(2S)-2-acetyloxypropyl] benzene-1,4-dicarboxylate
CID 67865625

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzoyloxypropyl] benzoate?
The IUPAC name of [(2S)-2-benzoyloxypropyl] benzoate (CID 73416127) is [(2S)-2-benzoyloxypropyl] benzoate.
What is the SMILES notation for [(2S)-2-benzoyloxypropyl] benzoate?
The canonical SMILES for [(2S)-2-benzoyloxypropyl] benzoate is C[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [(2S)-2-benzoyloxypropyl] benzoate?
The InChIKey is UMVMVEZHMZTUHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-2-benzoyloxypropyl] benzoate?
[(2S)-2-benzoyloxypropyl] benzoate has a molecular weight of 284.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzoyloxypropyl] benzoate is sourced from PubChem (CID 73416127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).