2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid

C12H15FO4 — CID 79366441

IUPAC2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid
SMILESCOc1ccc(C)cc1C(C)(O)C(F)C(=O)O
InChIInChI=1S/C12H15FO4/c1-7-4-5-9(17-3)8(6-7)12(2,16)10(13)11(14)15/h4-6,10,16H,1-3H3,(H,14,15)
InChIKeyZXYYXFYQYCVXIC-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.63
Rot. Bonds4

About 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid

2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid (PubChem CID 79366441) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid
PubChem CID79366441
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid
SMILESCOc1ccc(C)cc1C(C)(O)C(F)C(=O)O
InChIInChI=1S/C12H15FO4/c1-7-4-5-9(17-3)8(6-7)12(2,16)10(13)11(14)15/h4-6,10,16H,1-3H3,(H,14,15)
InChIKeyZXYYXFYQYCVXIC-UHFFFAOYSA-N
XLogP1.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)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

Related Compounds

2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
4-(3,4-dimethoxyphenyl)-2-fluoro-3-hydroxy-3-methylbutanoic acid
CID 79366258
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 43753817
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
2-amino-4-(2-methoxy-4-methylphenoxy)-4-methylpentanoic acid
CID 116821176
2-(2-methoxy-5-methylphenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341396

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid (CID 79366441) is 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid is COc1ccc(C)cc1C(C)(O)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid?
The InChIKey is ZXYYXFYQYCVXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-7-4-5-9(17-3)8(6-7)12(2,16)10(13)11(14)15/h4-6,10,16H,1-3H3,(H,14,15).
What are the key properties of 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid?
2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid has a molecular weight of 242.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid is sourced from PubChem (CID 79366441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).