3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid

C11H12F2O3 — CID 117332087

IUPAC3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1cc(F)cc(F)c1O
InChIInChI=1S/C11H12F2O3/c1-11(2,5-9(14)15)7-3-6(12)4-8(13)10(7)16/h3-4,16H,5H2,1-2H3,(H,14,15)
InChIKeyLMMKVEVNZHJLJL-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.42
Rot. Bonds3

About 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid

3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid (PubChem CID 117332087) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid
PubChem CID117332087
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1cc(F)cc(F)c1O
InChIInChI=1S/C11H12F2O3/c1-11(2,5-9(14)15)7-3-6(12)4-8(13)10(7)16/h3-4,16H,5H2,1-2H3,(H,14,15)
InChIKeyLMMKVEVNZHJLJL-UHFFFAOYSA-N
XLogP2.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,5-difluoro-2-hydroxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid (CID 117332087) is 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid is CC(C)(CC(=O)O)c1cc(F)cc(F)c1O.
What is the InChIKey of 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid?
The InChIKey is LMMKVEVNZHJLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-11(2,5-9(14)15)7-3-6(12)4-8(13)10(7)16/h3-4,16H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid?
3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid has a molecular weight of 230.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-hydroxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117332087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).