ethyl 2-(2-benzoylphenyl)acetate

C17H16O3 — CID 15657579

IUPACethyl 2-(2-benzoylphenyl)acetate
SMILESCCOC(=O)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O3/c1-2-20-16(18)12-14-10-6-7-11-15(14)17(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyIDDTWZXCXVLOOQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.02
Rot. Bonds5

About ethyl 2-(2-benzoylphenyl)acetate

ethyl 2-(2-benzoylphenyl)acetate (PubChem CID 15657579) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-(2-benzoylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-benzoylphenyl)acetate
PubChem CID15657579
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameethyl 2-(2-benzoylphenyl)acetate
SMILESCCOC(=O)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H16O3/c1-2-20-16(18)12-14-10-6-7-11-15(14)17(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyIDDTWZXCXVLOOQ-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzoylphenyl)acetate?
The IUPAC name of ethyl 2-(2-benzoylphenyl)acetate (CID 15657579) is ethyl 2-(2-benzoylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-benzoylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-benzoylphenyl)acetate is CCOC(=O)Cc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(2-benzoylphenyl)acetate?
The InChIKey is IDDTWZXCXVLOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-20-16(18)12-14-10-6-7-11-15(14)17(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(2-benzoylphenyl)acetate?
ethyl 2-(2-benzoylphenyl)acetate has a molecular weight of 268.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzoylphenyl)acetate is sourced from PubChem (CID 15657579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).