3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid

C10H9F3O3 — CID 84697357

IUPAC3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-5-7(14)3-1-6(8)2-4-9(15)16/h1,3,5,14H,2,4H2,(H,15,16)
InChIKeyHQLIRVGZQNUBRQ-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.43
Rot. Bonds3

About 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid

3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 84697357) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
PubChem CID84697357
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-5-7(14)3-1-6(8)2-4-9(15)16/h1,3,5,14H,2,4H2,(H,15,16)
InChIKeyHQLIRVGZQNUBRQ-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid (CID 84697357) is 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid is O=C(O)CCc1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is HQLIRVGZQNUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)8-5-7(14)3-1-6(8)2-4-9(15)16/h1,3,5,14H,2,4H2,(H,15,16).
What are the key properties of 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid?
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 84697357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).