ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate

C17H17FO2 — CID 22067883

IUPACethyl 3-[2-(2-fluorophenyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1-c1ccccc1F
InChIInChI=1S/C17H17FO2/c1-2-20-17(19)12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)18/h3-10H,2,11-12H2,1H3
InChIKeyDOVWUPVWNJLMAI-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.99
Rot. Bonds5

About ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate

ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate (PubChem CID 22067883) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-fluorophenyl)phenyl]propanoate
PubChem CID22067883
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Nameethyl 3-[2-(2-fluorophenyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1-c1ccccc1F
InChIInChI=1S/C17H17FO2/c1-2-20-17(19)12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)18/h3-10H,2,11-12H2,1H3
InChIKeyDOVWUPVWNJLMAI-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate (CID 22067883) is ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate is CCOC(=O)CCc1ccccc1-c1ccccc1F.
What is the InChIKey of ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate?
The InChIKey is DOVWUPVWNJLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-2-20-17(19)12-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)18/h3-10H,2,11-12H2,1H3.
What are the key properties of ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate?
ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate has a molecular weight of 272.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate is sourced from PubChem (CID 22067883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).