2-(5-ethyl-2-fluorophenoxy)acetic acid

C10H11FO3 — CID 89304520

IUPAC2-(5-ethyl-2-fluorophenoxy)acetic acid
SMILESCCc1ccc(F)c(OCC(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-2-7-3-4-8(11)9(5-7)14-6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyALYPMBOSYQTKHS-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.85
Rot. Bonds4

About 2-(5-ethyl-2-fluorophenoxy)acetic acid

2-(5-ethyl-2-fluorophenoxy)acetic acid (PubChem CID 89304520) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(5-ethyl-2-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-fluorophenoxy)acetic acid
PubChem CID89304520
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(5-ethyl-2-fluorophenoxy)acetic acid
SMILESCCc1ccc(F)c(OCC(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-2-7-3-4-8(11)9(5-7)14-6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyALYPMBOSYQTKHS-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-ethyl-2-fluorophenoxy)acetic acid 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

2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid
CID 18448337
ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole
CID 142360325
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
CID 71232413
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
1-(2,5-difluorophenoxy)pentan-2-one
CID 63269916
2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid
CID 70673149
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-fluorophenoxy)acetic acid?
The IUPAC name of 2-(5-ethyl-2-fluorophenoxy)acetic acid (CID 89304520) is 2-(5-ethyl-2-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(5-ethyl-2-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(5-ethyl-2-fluorophenoxy)acetic acid is CCc1ccc(F)c(OCC(=O)O)c1.
What is the InChIKey of 2-(5-ethyl-2-fluorophenoxy)acetic acid?
The InChIKey is ALYPMBOSYQTKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-2-7-3-4-8(11)9(5-7)14-6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(5-ethyl-2-fluorophenoxy)acetic acid?
2-(5-ethyl-2-fluorophenoxy)acetic acid has a molecular weight of 198.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-fluorophenoxy)acetic acid is sourced from PubChem (CID 89304520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).