ethyl 2-benzoyl-3-chlorobenzoate

C16H13ClO3 — CID 91665548

IUPACethyl 2-benzoyl-3-chlorobenzoate
SMILESCCOC(=O)c1cccc(Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C16H13ClO3/c1-2-20-16(19)12-9-6-10-13(17)14(12)15(18)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyHVTNZISHILGZNB-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.75
Rot. Bonds4

About ethyl 2-benzoyl-3-chlorobenzoate

ethyl 2-benzoyl-3-chlorobenzoate (PubChem CID 91665548) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is ethyl 2-benzoyl-3-chlorobenzoate.

Molecular Properties

Compound Nameethyl 2-benzoyl-3-chlorobenzoate
PubChem CID91665548
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Nameethyl 2-benzoyl-3-chlorobenzoate
SMILESCCOC(=O)c1cccc(Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C16H13ClO3/c1-2-20-16(19)12-9-6-10-13(17)14(12)15(18)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyHVTNZISHILGZNB-UHFFFAOYSA-N
XLogP3.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoyl-3-chlorobenzoate?
The IUPAC name of ethyl 2-benzoyl-3-chlorobenzoate (CID 91665548) is ethyl 2-benzoyl-3-chlorobenzoate.
What is the SMILES notation for ethyl 2-benzoyl-3-chlorobenzoate?
The canonical SMILES for ethyl 2-benzoyl-3-chlorobenzoate is CCOC(=O)c1cccc(Cl)c1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzoyl-3-chlorobenzoate?
The InChIKey is HVTNZISHILGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-2-20-16(19)12-9-6-10-13(17)14(12)15(18)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-benzoyl-3-chlorobenzoate?
ethyl 2-benzoyl-3-chlorobenzoate has a molecular weight of 288.73 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoyl-3-chlorobenzoate is sourced from PubChem (CID 91665548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).