3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid

C11H13FO3 — CID 105465813

IUPAC3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
SMILESCC(CO)(CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c1-11(7-13,6-10(14)15)8-3-2-4-9(12)5-8/h2-5,13H,6-7H2,1H3,(H,14,15)
InChIKeyASXYCNSWOJRMTL-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.55
Rot. Bonds4

About 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid

3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid (PubChem CID 105465813) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
PubChem CID105465813
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
SMILESCC(CO)(CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c1-11(7-13,6-10(14)15)8-3-2-4-9(12)5-8/h2-5,13H,6-7H2,1H3,(H,14,15)
InChIKeyASXYCNSWOJRMTL-UHFFFAOYSA-N
XLogP1.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoate
CID 105483806
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
3,3-difluoro-3-(3-fluorophenyl)propanoic acid
CID 84672023
2-(3-fluorophenyl)-2-phenylbutanedioic acid
CID 152760459
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
2-(3-fluorophenyl)-2-methoxypropan-1-ol
CID 105441079
4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
CID 114873105
5-(3-fluorophenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004499
3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 114873020

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid (CID 105465813) is 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid is CC(CO)(CC(=O)O)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid?
The InChIKey is ASXYCNSWOJRMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-11(7-13,6-10(14)15)8-3-2-4-9(12)5-8/h2-5,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid?
3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 105465813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).