ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate

C13H15FO3 — CID 58566544

IUPACethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(O)cc1F
InChIInChI=1S/C13H15FO3/c1-2-17-13(16)6-8-5-11(8)10-4-3-9(15)7-12(10)14/h3-4,7-8,11,15H,2,5-6H2,1H3
InChIKeyYUEVUFQQGQQVTG-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.59
Rot. Bonds4

About ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate

ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate (PubChem CID 58566544) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate
PubChem CID58566544
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(O)cc1F
InChIInChI=1S/C13H15FO3/c1-2-17-13(16)6-8-5-11(8)10-4-3-9(15)7-12(10)14/h3-4,7-8,11,15H,2,5-6H2,1H3
InChIKeyYUEVUFQQGQQVTG-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate 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 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate (CID 58566544) is ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate is CCOC(=O)CC1CC1c1ccc(O)cc1F.
What is the InChIKey of ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate?
The InChIKey is YUEVUFQQGQQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-2-17-13(16)6-8-5-11(8)10-4-3-9(15)7-12(10)14/h3-4,7-8,11,15H,2,5-6H2,1H3.
What are the key properties of ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate?
ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate has a molecular weight of 238.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate is sourced from PubChem (CID 58566544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).