(4-benzoyloxyphenyl) benzoate

C20H14O4 — CID 569556

IUPAC(4-benzoyloxyphenyl) benzoate
SMILESO=C(Oc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H14O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h1-14H
InChIKeyKOAWERFKPZHNNY-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.12
Rot. Bonds4

About (4-benzoyloxyphenyl) benzoate

(4-benzoyloxyphenyl) benzoate (PubChem CID 569556) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is (4-benzoyloxyphenyl) benzoate.

Molecular Properties

Compound Name(4-benzoyloxyphenyl) benzoate
PubChem CID569556
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name(4-benzoyloxyphenyl) benzoate
SMILESO=C(Oc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H14O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h1-14H
InChIKeyKOAWERFKPZHNNY-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-benzoyloxyphenyl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzoyloxyphenyl) benzoate?
The IUPAC name of (4-benzoyloxyphenyl) benzoate (CID 569556) is (4-benzoyloxyphenyl) benzoate.
What is the SMILES notation for (4-benzoyloxyphenyl) benzoate?
The canonical SMILES for (4-benzoyloxyphenyl) benzoate is O=C(Oc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (4-benzoyloxyphenyl) benzoate?
The InChIKey is KOAWERFKPZHNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-19(15-7-3-1-4-8-15)23-17-11-13-18(14-12-17)24-20(22)16-9-5-2-6-10-16/h1-14H.
What are the key properties of (4-benzoyloxyphenyl) benzoate?
(4-benzoyloxyphenyl) benzoate has a molecular weight of 318.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyloxyphenyl) benzoate is sourced from PubChem (CID 569556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).