3-(3-fluoro-4-methylphenoxy)propanoic acid

C10H11FO3 — CID 107168344

IUPAC3-(3-fluoro-4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCCC(=O)O)cc1F
InChIInChI=1S/C10H11FO3/c1-7-2-3-8(6-9(7)11)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyXEDVGXUVUITZCD-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.99
Rot. Bonds4

About 3-(3-fluoro-4-methylphenoxy)propanoic acid

3-(3-fluoro-4-methylphenoxy)propanoic acid (PubChem CID 107168344) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenoxy)propanoic acid
PubChem CID107168344
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-(3-fluoro-4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCCC(=O)O)cc1F
InChIInChI=1S/C10H11FO3/c1-7-2-3-8(6-9(7)11)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyXEDVGXUVUITZCD-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
6-(3-fluoro-4-methylphenoxy)hexan-3-one
CID 107169821
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
3-[4-(3,4-dimethylphenyl)phenoxy]propanoic acid
CID 39369403
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426
2-fluoro-5-[(3-fluoro-4-methylphenoxy)methyl]benzoic acid
CID 107881304
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
2-amino-2-cyclopropyl-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170442

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenoxy)propanoic acid?
The IUPAC name of 3-(3-fluoro-4-methylphenoxy)propanoic acid (CID 107168344) is 3-(3-fluoro-4-methylphenoxy)propanoic acid.
What is the SMILES notation for 3-(3-fluoro-4-methylphenoxy)propanoic acid?
The canonical SMILES for 3-(3-fluoro-4-methylphenoxy)propanoic acid is Cc1ccc(OCCC(=O)O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenoxy)propanoic acid?
The InChIKey is XEDVGXUVUITZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7-2-3-8(6-9(7)11)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-(3-fluoro-4-methylphenoxy)propanoic acid?
3-(3-fluoro-4-methylphenoxy)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenoxy)propanoic acid is sourced from PubChem (CID 107168344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).