1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid

C11H11FO5S — CID 117437969

IUPAC1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C2(C(=O)O)CC2)c(O)c1F
InChIInChI=1S/C11H11FO5S/c1-18(16,17)7-3-2-6(9(13)8(7)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyBNMKWWQIRURQSU-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.05
Rot. Bonds3

About 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid

1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117437969) has the molecular formula C11H11FO5S and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117437969
Molecular FormulaC11H11FO5S
Molecular Weight274.27 g/mol
Exact Mass274.03
IUPAC Name1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C2(C(=O)O)CC2)c(O)c1F
InChIInChI=1S/C11H11FO5S/c1-18(16,17)7-3-2-6(9(13)8(7)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyBNMKWWQIRURQSU-UHFFFAOYSA-N
XLogP1.05
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic 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-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117437970
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117465574
1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117434862
1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84795239
1-(4-fluoro-3-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789644
2-fluoro-6-[(1-hydroxycyclopropyl)methyl]-3-methylsulfonylphenol
CID 117404537
1-(3-methylsulfanyl-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117461992
1-(2-fluoro-4-methylsulfonylphenyl)cyclohexane-1-carboxylic acid
CID 117484100
1-(4,5-dimethoxy-2-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117484073
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117468898
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid (CID 117437969) is 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid is CS(=O)(=O)c1ccc(C2(C(=O)O)CC2)c(O)c1F.
What is the InChIKey of 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is BNMKWWQIRURQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO5S/c1-18(16,17)7-3-2-6(9(13)8(7)12)11(4-5-11)10(14)15/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid?
1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117437969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).