ethyl 2-(4-fluorophenyl)benzoate

C15H13FO2 — CID 43840259

IUPACethyl 2-(4-fluorophenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c1-2-18-15(17)14-6-4-3-5-13(14)11-7-9-12(16)10-8-11/h3-10H,2H2,1H3
InChIKeyGTIITBFOKGJWJA-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.67
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)benzoate

ethyl 2-(4-fluorophenyl)benzoate (PubChem CID 43840259) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)benzoate
PubChem CID43840259
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-(4-fluorophenyl)benzoate
SMILESCCOC(=O)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c1-2-18-15(17)14-6-4-3-5-13(14)11-7-9-12(16)10-8-11/h3-10H,2H2,1H3
InChIKeyGTIITBFOKGJWJA-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
ethyl 2-[4-(methylsulfonyloxymethyl)phenyl]benzoate
CID 21464175
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
bis[2-(4-fluorophenyl)phenyl]methanone
CID 141033453
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 3-(4-fluorophenyl)furan-2-carboxylate
CID 169200046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)benzoate?
The IUPAC name of ethyl 2-(4-fluorophenyl)benzoate (CID 43840259) is ethyl 2-(4-fluorophenyl)benzoate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)benzoate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)benzoate is CCOC(=O)c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)benzoate?
The InChIKey is GTIITBFOKGJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-2-18-15(17)14-6-4-3-5-13(14)11-7-9-12(16)10-8-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)benzoate?
ethyl 2-(4-fluorophenyl)benzoate has a molecular weight of 244.26 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)benzoate is sourced from PubChem (CID 43840259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).