3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid

C16H15FO3 — CID 22496037

IUPAC3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid
SMILESO=C(O)CC(Cc1ccc(O)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15FO3/c17-14-3-1-2-12(9-14)13(10-16(19)20)8-11-4-6-15(18)7-5-11/h1-7,9,13,18H,8,10H2,(H,19,20)
InChIKeyKXPXGMGKAATVCA-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.33
Rot. Bonds5

About 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid

3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid (PubChem CID 22496037) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid
PubChem CID22496037
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid
SMILESO=C(O)CC(Cc1ccc(O)cc1)c1cccc(F)c1
InChIInChI=1S/C16H15FO3/c17-14-3-1-2-12(9-14)13(10-16(19)20)8-11-4-6-15(18)7-5-11/h1-7,9,13,18H,8,10H2,(H,19,20)
InChIKeyKXPXGMGKAATVCA-UHFFFAOYSA-N
XLogP3.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid (CID 22496037) is 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid is O=C(O)CC(Cc1ccc(O)cc1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid?
The InChIKey is KXPXGMGKAATVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c17-14-3-1-2-12(9-14)13(10-16(19)20)8-11-4-6-15(18)7-5-11/h1-7,9,13,18H,8,10H2,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid?
3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-(4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 22496037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).