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

C9H9FO3 — CID 89304540

IUPAC(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)C[C@@H](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)/t8-/m1/s1
InChIKeyQLEUDHYLOHWMLQ-MRVPVSSYSA-N
MW184.17 g/mol
LogP1.33
Rot. Bonds3

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

(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid (PubChem CID 89304540) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
PubChem CID89304540
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)C[C@@H](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)/t8-/m1/s1
InChIKeyQLEUDHYLOHWMLQ-MRVPVSSYSA-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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Related Compounds

(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
CID 174650896
3-(4-cyanophenyl)-3-hydroxypropanoic acid
CID 89195276
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369
3-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 62395244
methyl 5-(4-fluorophenyl)-5-hydroxy-3-oxopentanoate
CID 53235616
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
(3S)-3-(4-fluorophenyl)pent-4-enoic acid
CID 124635167
3-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82129491

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid (CID 89304540) is (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid is O=C(O)C[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is QLEUDHYLOHWMLQ-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid?
(3R)-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 (3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 89304540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).