2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid

C14H19FO3 — CID 83050855

IUPAC2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1ccc(C)c(F)c1
InChIInChI=1S/C14H19FO3/c1-4-7-14(18,13(16)17)10(3)11-6-5-9(2)12(15)8-11/h5-6,8,10,18H,4,7H2,1-3H3,(H,16,17)
InChIKeyPFNMZKHDTSVFEO-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid

2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid (PubChem CID 83050855) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid
PubChem CID83050855
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1ccc(C)c(F)c1
InChIInChI=1S/C14H19FO3/c1-4-7-14(18,13(16)17)10(3)11-6-5-9(2)12(15)8-11/h5-6,8,10,18H,4,7H2,1-3H3,(H,16,17)
InChIKeyPFNMZKHDTSVFEO-UHFFFAOYSA-N
XLogP2.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 83051898
ethyl 3-(3,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299548
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
CID 79303258
2-(3-fluoro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 63647938
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
2-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 55245574
2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 79304708
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
3-(3,4-dimethylphenyl)-2-hydroxy-2-methylbutanoic acid
CID 79304600
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid?
The IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid (CID 83050855) is 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid.
What is the SMILES notation for 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid?
The canonical SMILES for 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid is CCCC(O)(C(=O)O)C(C)c1ccc(C)c(F)c1.
What is the InChIKey of 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid?
The InChIKey is PFNMZKHDTSVFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-4-7-14(18,13(16)17)10(3)11-6-5-9(2)12(15)8-11/h5-6,8,10,18H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid?
2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid has a molecular weight of 254.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid is sourced from PubChem (CID 83050855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).