2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid

C13H17FO4 — CID 83041479

IUPAC2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(F)cc1[C@@H](C)O)C(=O)O
InChIInChI=1S/C13H17FO4/c1-3-4-12(13(16)17)18-11-6-5-9(14)7-10(11)8(2)15/h5-8,12,15H,3-4H2,1-2H3,(H,16,17)/t8-,12?/m1/s1
InChIKeyQXNUIUOLQDGNFS-SZSXPDSJSA-N
MW256.27 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid

2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid (PubChem CID 83041479) has the molecular formula C13H17FO4 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
PubChem CID83041479
Molecular FormulaC13H17FO4
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(F)cc1[C@@H](C)O)C(=O)O
InChIInChI=1S/C13H17FO4/c1-3-4-12(13(16)17)18-11-6-5-9(14)7-10(11)8(2)15/h5-8,12,15H,3-4H2,1-2H3,(H,16,17)/t8-,12?/m1/s1
InChIKeyQXNUIUOLQDGNFS-SZSXPDSJSA-N
XLogP2.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
ethyl 2-[4-chloro-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83041897
ethyl 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83040549
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
2-[2-propan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]pentanoic acid
CID 172692089
2-[3-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83042004
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356
ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
2-(2-chloro-4-ethylphenoxy)pentanoic acid
CID 54793091
4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
CID 102988005

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid?
The IUPAC name of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid (CID 83041479) is 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid.
What is the SMILES notation for 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid?
The canonical SMILES for 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid is CCCC(Oc1ccc(F)cc1[C@@H](C)O)C(=O)O.
What is the InChIKey of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid?
The InChIKey is QXNUIUOLQDGNFS-SZSXPDSJSA-N. The full InChI is InChI=1S/C13H17FO4/c1-3-4-12(13(16)17)18-11-6-5-9(14)7-10(11)8(2)15/h5-8,12,15H,3-4H2,1-2H3,(H,16,17)/t8-,12?/m1/s1.
What are the key properties of 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid?
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid has a molecular weight of 256.27 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid is sourced from PubChem (CID 83041479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).