2-(3-fluoro-4-methylphenoxy)pentanoic acid

C12H15FO3 — CID 107168408

IUPAC2-(3-fluoro-4-methylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(C)c(F)c1)C(=O)O
InChIInChI=1S/C12H15FO3/c1-3-4-11(12(14)15)16-9-6-5-8(2)10(13)7-9/h5-7,11H,3-4H2,1-2H3,(H,14,15)
InChIKeyFCWFCCYYIJLIOF-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.77
Rot. Bonds5

About 2-(3-fluoro-4-methylphenoxy)pentanoic acid

2-(3-fluoro-4-methylphenoxy)pentanoic acid (PubChem CID 107168408) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)pentanoic acid
PubChem CID107168408
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-(3-fluoro-4-methylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(C)c(F)c1)C(=O)O
InChIInChI=1S/C12H15FO3/c1-3-4-11(12(14)15)16-9-6-5-8(2)10(13)7-9/h5-7,11H,3-4H2,1-2H3,(H,14,15)
InChIKeyFCWFCCYYIJLIOF-UHFFFAOYSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
2-(3,4-dimethylphenoxy)-4-(methylamino)butanoic acid
CID 112518212
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoic acid
CID 12906025
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
(2S)-2-[3-fluoro-4-(trifluoromethyl)phenoxy]butanoic acid
CID 18643865
2-[3-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83042004

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)pentanoic acid?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)pentanoic acid (CID 107168408) is 2-(3-fluoro-4-methylphenoxy)pentanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)pentanoic acid?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)pentanoic acid is CCCC(Oc1ccc(C)c(F)c1)C(=O)O.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)pentanoic acid?
The InChIKey is FCWFCCYYIJLIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-3-4-11(12(14)15)16-9-6-5-8(2)10(13)7-9/h5-7,11H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-fluoro-4-methylphenoxy)pentanoic acid?
2-(3-fluoro-4-methylphenoxy)pentanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)pentanoic acid is sourced from PubChem (CID 107168408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).