2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid

C11H14O6S — CID 117438166

IUPAC2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C11H14O6S/c1-6-4-9(18(3,15)16)7(5-8(6)17-2)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChIKeyJROPZAVWANYVBU-UHFFFAOYSA-N
MW274.29 g/mol
LogP0.53
Rot. Bonds4

About 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid

2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid (PubChem CID 117438166) has the molecular formula C11H14O6S and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
PubChem CID117438166
Molecular FormulaC11H14O6S
Molecular Weight274.29 g/mol
Exact Mass274.05
IUPAC Name2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)c(S(C)(=O)=O)cc1C
InChIInChI=1S/C11H14O6S/c1-6-4-9(18(3,15)16)7(5-8(6)17-2)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChIKeyJROPZAVWANYVBU-UHFFFAOYSA-N
XLogP0.53
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(2,5-dimethoxy-3-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117468875
2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 82481489
1-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol
CID 117329200
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
CID 117440336
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-hydroxy-2-(5-methoxy-2,3-dimethylphenyl)acetic acid
CID 119014767
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
CID 116939710
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid (CID 117438166) is 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid is COc1cc(C(O)C(=O)O)c(S(C)(=O)=O)cc1C.
What is the InChIKey of 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid?
The InChIKey is JROPZAVWANYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6S/c1-6-4-9(18(3,15)16)7(5-8(6)17-2)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14).
What are the key properties of 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid?
2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid has a molecular weight of 274.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid is sourced from PubChem (CID 117438166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).