ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate

C22H17FO3 — CID 134941486

IUPACethyl 4-(2-benzoyl-5-fluorophenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(F)ccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H17FO3/c1-2-26-22(25)17-10-8-15(9-11-17)20-14-18(23)12-13-19(20)21(24)16-6-4-3-5-7-16/h3-14H,2H2,1H3
InChIKeyWSPMZMPAGMBVEQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.90
Rot. Bonds5

About ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate

ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate (PubChem CID 134941486) has the molecular formula C22H17FO3 and a molecular weight of 348.37 g/mol. Its IUPAC name is ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-benzoyl-5-fluorophenyl)benzoate
PubChem CID134941486
Molecular FormulaC22H17FO3
Molecular Weight348.37 g/mol
Exact Mass348.12
IUPAC Nameethyl 4-(2-benzoyl-5-fluorophenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cc(F)ccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H17FO3/c1-2-26-22(25)17-10-8-15(9-11-17)20-14-18(23)12-13-19(20)21(24)16-6-4-3-5-7-16/h3-14H,2H2,1H3
InChIKeyWSPMZMPAGMBVEQ-UHFFFAOYSA-N
XLogP4.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate?
The IUPAC name of ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate (CID 134941486) is ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate.
What is the SMILES notation for ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate?
The canonical SMILES for ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate is CCOC(=O)c1ccc(-c2cc(F)ccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate?
The InChIKey is WSPMZMPAGMBVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO3/c1-2-26-22(25)17-10-8-15(9-11-17)20-14-18(23)12-13-19(20)21(24)16-6-4-3-5-7-16/h3-14H,2H2,1H3.
What are the key properties of ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate?
ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate has a molecular weight of 348.37 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-benzoyl-5-fluorophenyl)benzoate is sourced from PubChem (CID 134941486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).