2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid

C13H15FO3 — CID 83969122

IUPAC2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1c(C)cc(F)cc1C1CC1C(=O)O
InChIInChI=1S/C13H15FO3/c1-3-17-12-7(2)4-8(14)5-10(12)9-6-11(9)13(15)16/h4-5,9,11H,3,6H2,1-2H3,(H,15,16)
InChIKeyYNTZPBFFEXFIJP-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid

2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 83969122) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID83969122
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1c(C)cc(F)cc1C1CC1C(=O)O
InChIInChI=1S/C13H15FO3/c1-3-17-12-7(2)4-8(14)5-10(12)9-6-11(9)13(15)16/h4-5,9,11H,3,6H2,1-2H3,(H,15,16)
InChIKeyYNTZPBFFEXFIJP-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid 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 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid (CID 83969122) is 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid is CCOc1c(C)cc(F)cc1C1CC1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is YNTZPBFFEXFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-3-17-12-7(2)4-8(14)5-10(12)9-6-11(9)13(15)16/h4-5,9,11H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid?
2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83969122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).