2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid

C9H9FO4 — CID 117289043

IUPAC2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(O)cc(C(O)C(=O)O)c1F
InChIInChI=1S/C9H9FO4/c1-4-2-5(11)3-6(7(4)10)8(12)9(13)14/h2-3,8,11-12H,1H3,(H,13,14)
InChIKeyAWIGARPCGRJPMN-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.96
Rot. Bonds2

About 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid

2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117289043) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
PubChem CID117289043
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(O)cc(C(O)C(=O)O)c1F
InChIInChI=1S/C9H9FO4/c1-4-2-5(11)3-6(7(4)10)8(12)9(13)14/h2-3,8,11-12H,1H3,(H,13,14)
InChIKeyAWIGARPCGRJPMN-UHFFFAOYSA-N
XLogP0.96
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic 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-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117447192
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid
CID 117302913
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117300050
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
CID 130967567
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117308561
2-(2-fluoro-5-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 131566605

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid (CID 117289043) is 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid is Cc1cc(O)cc(C(O)C(=O)O)c1F.
What is the InChIKey of 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is AWIGARPCGRJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-4-2-5(11)3-6(7(4)10)8(12)9(13)14/h2-3,8,11-12H,1H3,(H,13,14).
What are the key properties of 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid?
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 200.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117289043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).