3-[2-(2-fluoropropoxy)phenyl]propanoic acid

C12H15FO3 — CID 84614665

IUPAC3-[2-(2-fluoropropoxy)phenyl]propanoic acid
SMILESCC(F)COc1ccccc1CCC(=O)O
InChIInChI=1S/C12H15FO3/c1-9(13)8-16-11-5-3-2-4-10(11)6-7-12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyDPRCLEZELFNTHF-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.44
Rot. Bonds6

About 3-[2-(2-fluoropropoxy)phenyl]propanoic acid

3-[2-(2-fluoropropoxy)phenyl]propanoic acid (PubChem CID 84614665) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-[2-(2-fluoropropoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluoropropoxy)phenyl]propanoic acid
PubChem CID84614665
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-[2-(2-fluoropropoxy)phenyl]propanoic acid
SMILESCC(F)COc1ccccc1CCC(=O)O
InChIInChI=1S/C12H15FO3/c1-9(13)8-16-11-5-3-2-4-10(11)6-7-12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyDPRCLEZELFNTHF-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2-fluoropropoxy)phenyl]propanoic 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

3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22683637
3-[2-[2,3-di(propan-2-yl)phenoxy]phenyl]propanoic acid
CID 57261152
3-[2-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680238
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
CID 80741080
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoropropoxy)phenyl]propanoic acid?
The IUPAC name of 3-[2-(2-fluoropropoxy)phenyl]propanoic acid (CID 84614665) is 3-[2-(2-fluoropropoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(2-fluoropropoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(2-fluoropropoxy)phenyl]propanoic acid is CC(F)COc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-(2-fluoropropoxy)phenyl]propanoic acid?
The InChIKey is DPRCLEZELFNTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-9(13)8-16-11-5-3-2-4-10(11)6-7-12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-[2-(2-fluoropropoxy)phenyl]propanoic acid?
3-[2-(2-fluoropropoxy)phenyl]propanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoropropoxy)phenyl]propanoic acid is sourced from PubChem (CID 84614665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).