2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid

C14H19FO4 — CID 113389405

IUPAC2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1c(F)cccc1OC
InChIInChI=1S/C14H19FO4/c1-4-8-14(18,13(16)17)9(2)12-10(15)6-5-7-11(12)19-3/h5-7,9,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyRXZFOPYOMSVJPW-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.55
Rot. Bonds6

About 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid

2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid (PubChem CID 113389405) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid
PubChem CID113389405
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1c(F)cccc1OC
InChIInChI=1S/C14H19FO4/c1-4-8-14(18,13(16)17)9(2)12-10(15)6-5-7-11(12)19-3/h5-7,9,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyRXZFOPYOMSVJPW-UHFFFAOYSA-N
XLogP2.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid
CID 83051163
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
ethyl (3R)-3-amino-2-fluoro-3-(2-fluoro-6-methoxyphenyl)propanoate;hydrochloride
CID 171243248
2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
CID 79303258
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
5-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 119138916
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784211
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid?
The IUPAC name of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid (CID 113389405) is 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid.
What is the SMILES notation for 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid?
The canonical SMILES for 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid is CCCC(O)(C(=O)O)C(C)c1c(F)cccc1OC.
What is the InChIKey of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid?
The InChIKey is RXZFOPYOMSVJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO4/c1-4-8-14(18,13(16)17)9(2)12-10(15)6-5-7-11(12)19-3/h5-7,9,18H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid?
2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid has a molecular weight of 270.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid is sourced from PubChem (CID 113389405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).