2-benzoyloxypropyl benzoate

C17H16O4 — CID 517637

IUPAC2-benzoyloxypropyl benzoate
SMILESCC(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
InChIKeyUMVMVEZHMZTUHD-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.09
Rot. Bonds5

About 2-benzoyloxypropyl benzoate

2-benzoyloxypropyl benzoate (PubChem CID 517637) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-benzoyloxypropyl benzoate.

Molecular Properties

Compound Name2-benzoyloxypropyl benzoate
PubChem CID517637
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-benzoyloxypropyl benzoate
SMILESCC(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
InChIKeyUMVMVEZHMZTUHD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxypropyl benzoate?
The IUPAC name of 2-benzoyloxypropyl benzoate (CID 517637) is 2-benzoyloxypropyl benzoate.
What is the SMILES notation for 2-benzoyloxypropyl benzoate?
The canonical SMILES for 2-benzoyloxypropyl benzoate is CC(COC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of 2-benzoyloxypropyl benzoate?
The InChIKey is UMVMVEZHMZTUHD-UHFFFAOYSA-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.
What are the key properties of 2-benzoyloxypropyl benzoate?
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 2-benzoyloxypropyl benzoate is sourced from PubChem (CID 517637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).