5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid

C13H15F3O4 — CID 62941484

IUPAC5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid
SMILESCC(CC(=O)O)CC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O4/c1-8(7-12(18)19)6-11(17)9-2-4-10(5-3-9)20-13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19)
InChIKeyCAGAPPZORASOJF-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.12
Rot. Bonds6

About 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid

5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid (PubChem CID 62941484) has the molecular formula C13H15F3O4 and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid
PubChem CID62941484
Molecular FormulaC13H15F3O4
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Name5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid
SMILESCC(CC(=O)O)CC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O4/c1-8(7-12(18)19)6-11(17)9-2-4-10(5-3-9)20-13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19)
InChIKeyCAGAPPZORASOJF-UHFFFAOYSA-N
XLogP3.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
4-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122011640
3-(2,3-dimethylbutanoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189878
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
3-(propylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 65235458
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
1-[(2S)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94744564
2-(3-hydroxybutan-2-yloxy)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 103377943
2-methyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 79298920

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid?
The IUPAC name of 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid (CID 62941484) is 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid is CC(CC(=O)O)CC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid?
The InChIKey is CAGAPPZORASOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O4/c1-8(7-12(18)19)6-11(17)9-2-4-10(5-3-9)20-13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid?
5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid has a molecular weight of 292.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 62941484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).