2-(3-fluoro-5-methylphenoxy)propanoic acid

C10H11FO3 — CID 155818587

IUPAC2-(3-fluoro-5-methylphenoxy)propanoic acid
SMILESCc1cc(F)cc(OC(C)C(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-6-3-8(11)5-9(4-6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyDKUFIVFFAXRFJN-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.99
Rot. Bonds3

About 2-(3-fluoro-5-methylphenoxy)propanoic acid

2-(3-fluoro-5-methylphenoxy)propanoic acid (PubChem CID 155818587) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenoxy)propanoic acid
PubChem CID155818587
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(3-fluoro-5-methylphenoxy)propanoic acid
SMILESCc1cc(F)cc(OC(C)C(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-6-3-8(11)5-9(4-6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyDKUFIVFFAXRFJN-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-[3-(bromomethyl)-5-methylphenoxy]propanoic acid
CID 89264149
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 99132186
2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid
CID 82023178
2-(3-hydroxy-4-methylphenoxy)propanoic acid
CID 90064680
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
CID 103338112

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenoxy)propanoic acid?
The IUPAC name of 2-(3-fluoro-5-methylphenoxy)propanoic acid (CID 155818587) is 2-(3-fluoro-5-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-5-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(3-fluoro-5-methylphenoxy)propanoic acid is Cc1cc(F)cc(OC(C)C(=O)O)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenoxy)propanoic acid?
The InChIKey is DKUFIVFFAXRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-3-8(11)5-9(4-6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(3-fluoro-5-methylphenoxy)propanoic acid?
2-(3-fluoro-5-methylphenoxy)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenoxy)propanoic acid is sourced from PubChem (CID 155818587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).