3-(4-fluorophenyl)-3-hydroxypropanoic acid

C9H9FO3 — CID 19770379

IUPAC3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKeyQLEUDHYLOHWMLQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.33
Rot. Bonds3

About 3-(4-fluorophenyl)-3-hydroxypropanoic acid

3-(4-fluorophenyl)-3-hydroxypropanoic acid (PubChem CID 19770379) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxypropanoic acid
PubChem CID19770379
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(F)cc1
InChIInChI=1S/C9H9FO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKeyQLEUDHYLOHWMLQ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxypropanoic acid (CID 19770379) is 3-(4-fluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxypropanoic acid is O=C(O)CC(O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is QLEUDHYLOHWMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13).
What are the key properties of 3-(4-fluorophenyl)-3-hydroxypropanoic acid?
3-(4-fluorophenyl)-3-hydroxypropanoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 19770379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).