2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid

C10H11FO6S — CID 117445755

IUPAC2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C10H11FO6S/c1-17-7-4-5(8(12)10(13)14)3-6(11)9(7)18(2,15)16/h3-4,8,12H,1-2H3,(H,13,14)
InChIKeyOLLTVKDEPXNWRG-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.36
Rot. Bonds4

About 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid

2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid (PubChem CID 117445755) has the molecular formula C10H11FO6S and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
PubChem CID117445755
Molecular FormulaC10H11FO6S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC Name2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C10H11FO6S/c1-17-7-4-5(8(12)10(13)14)3-6(11)9(7)18(2,15)16/h3-4,8,12H,1-2H3,(H,13,14)
InChIKeyOLLTVKDEPXNWRG-UHFFFAOYSA-N
XLogP0.36
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-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

1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
3-(3,5-difluoro-4-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117445810
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117468915

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid (CID 117445755) is 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)cc(F)c1S(C)(=O)=O.
What is the InChIKey of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
The InChIKey is OLLTVKDEPXNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO6S/c1-17-7-4-5(8(12)10(13)14)3-6(11)9(7)18(2,15)16/h3-4,8,12H,1-2H3,(H,13,14).
What are the key properties of 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid?
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid has a molecular weight of 278.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117445755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).