phenacyl 2-phenylbenzoate

C21H16O3 — CID 765458

IUPACphenacyl 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-20(17-11-5-2-6-12-17)15-24-21(23)19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyQGTZDOXHDQBPKT-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.39
Rot. Bonds5

About phenacyl 2-phenylbenzoate

phenacyl 2-phenylbenzoate (PubChem CID 765458) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is phenacyl 2-phenylbenzoate.

Molecular Properties

Compound Namephenacyl 2-phenylbenzoate
PubChem CID765458
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Namephenacyl 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-20(17-11-5-2-6-12-17)15-24-21(23)19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyQGTZDOXHDQBPKT-UHFFFAOYSA-N
XLogP4.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-phenylbenzoate?
The IUPAC name of phenacyl 2-phenylbenzoate (CID 765458) is phenacyl 2-phenylbenzoate.
What is the SMILES notation for phenacyl 2-phenylbenzoate?
The canonical SMILES for phenacyl 2-phenylbenzoate is O=C(COC(=O)c1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of phenacyl 2-phenylbenzoate?
The InChIKey is QGTZDOXHDQBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O3/c22-20(17-11-5-2-6-12-17)15-24-21(23)19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of phenacyl 2-phenylbenzoate?
phenacyl 2-phenylbenzoate has a molecular weight of 316.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-phenylbenzoate is sourced from PubChem (CID 765458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).