3-(4-fluoro-2-hydroxyphenyl)propanoic acid

C9H9FO3 — CID 69224222

IUPAC3-(4-fluoro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(F)cc1O
InChIInChI=1S/C9H9FO3/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChIKeyGMMMVSXAVTZVRZ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.55
Rot. Bonds3

About 3-(4-fluoro-2-hydroxyphenyl)propanoic acid

3-(4-fluoro-2-hydroxyphenyl)propanoic acid (PubChem CID 69224222) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-(4-fluoro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluoro-2-hydroxyphenyl)propanoic acid
PubChem CID69224222
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name3-(4-fluoro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(F)cc1O
InChIInChI=1S/C9H9FO3/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChIKeyGMMMVSXAVTZVRZ-UHFFFAOYSA-N
XLogP1.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(4-fluoro-2-hydroxyphenyl)propanoic acid (CID 69224222) is 3-(4-fluoro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-fluoro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-fluoro-2-hydroxyphenyl)propanoic acid is O=C(O)CCc1ccc(F)cc1O.
What is the InChIKey of 3-(4-fluoro-2-hydroxyphenyl)propanoic acid?
The InChIKey is GMMMVSXAVTZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13).
What are the key properties of 3-(4-fluoro-2-hydroxyphenyl)propanoic acid?
3-(4-fluoro-2-hydroxyphenyl)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 69224222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).