ethyl 4-[(4-fluorophenyl)methyl]benzoate

C16H15FO2 — CID 71541120

IUPACethyl 4-[(4-fluorophenyl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-2-19-16(18)14-7-3-12(4-8-14)11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3
InChIKeyDWUFQYBTOFRIOM-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.59
Rot. Bonds4

About ethyl 4-[(4-fluorophenyl)methyl]benzoate

ethyl 4-[(4-fluorophenyl)methyl]benzoate (PubChem CID 71541120) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is ethyl 4-[(4-fluorophenyl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorophenyl)methyl]benzoate
PubChem CID71541120
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Nameethyl 4-[(4-fluorophenyl)methyl]benzoate
SMILESCCOC(=O)c1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-2-19-16(18)14-7-3-12(4-8-14)11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3
InChIKeyDWUFQYBTOFRIOM-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 4-[(4-fluorophenyl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
ethyl 4-[(4-fluorophenyl)sulfanylmethyl]benzoate
CID 126180258
ethyl 4-(furan-3-ylmethyl)benzoate
CID 101411930
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 4-(2,2-difluoroacetyl)benzoate
CID 11333639
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]benzoate?
The IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]benzoate (CID 71541120) is ethyl 4-[(4-fluorophenyl)methyl]benzoate.
What is the SMILES notation for ethyl 4-[(4-fluorophenyl)methyl]benzoate?
The canonical SMILES for ethyl 4-[(4-fluorophenyl)methyl]benzoate is CCOC(=O)c1ccc(Cc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-fluorophenyl)methyl]benzoate?
The InChIKey is DWUFQYBTOFRIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-2-19-16(18)14-7-3-12(4-8-14)11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 4-[(4-fluorophenyl)methyl]benzoate?
ethyl 4-[(4-fluorophenyl)methyl]benzoate has a molecular weight of 258.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluorophenyl)methyl]benzoate is sourced from PubChem (CID 71541120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).