4-(4-fluorophenoxy)-3-hydroxybutanoic acid

C10H11FO4 — CID 22564574

IUPAC4-(4-fluorophenoxy)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C10H11FO4/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyOWADQJOMSJFOMT-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.04
Rot. Bonds5

About 4-(4-fluorophenoxy)-3-hydroxybutanoic acid

4-(4-fluorophenoxy)-3-hydroxybutanoic acid (PubChem CID 22564574) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3-hydroxybutanoic acid
PubChem CID22564574
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name4-(4-fluorophenoxy)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C10H11FO4/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyOWADQJOMSJFOMT-UHFFFAOYSA-N
XLogP1.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
(3R)-4-(4-cyanophenoxy)-3-hydroxybutanoic acid
CID 69173053
3-[(4-fluorophenoxy)methyl]-4-methylpentanoic acid
CID 112508529
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
2-fluoro-3-(4-fluorophenoxy)propanoic acid
CID 105454089
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
CID 105465740
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-3-hydroxybutanoic acid?
The IUPAC name of 4-(4-fluorophenoxy)-3-hydroxybutanoic acid (CID 22564574) is 4-(4-fluorophenoxy)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(4-fluorophenoxy)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(4-fluorophenoxy)-3-hydroxybutanoic acid is O=C(O)CC(O)COc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-3-hydroxybutanoic acid?
The InChIKey is OWADQJOMSJFOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14).
What are the key properties of 4-(4-fluorophenoxy)-3-hydroxybutanoic acid?
4-(4-fluorophenoxy)-3-hydroxybutanoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3-hydroxybutanoic acid is sourced from PubChem (CID 22564574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).