2-(2-ethylsulfonylphenoxy)acetic acid

C10H12O5S — CID 114335185

IUPAC2-(2-ethylsulfonylphenoxy)acetic acid
SMILESCCS(=O)(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C10H12O5S/c1-2-16(13,14)9-6-4-3-5-8(9)15-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyZKTIFBXRLDWIGZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.94
Rot. Bonds5

About 2-(2-ethylsulfonylphenoxy)acetic acid

2-(2-ethylsulfonylphenoxy)acetic acid (PubChem CID 114335185) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2-ethylsulfonylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-ethylsulfonylphenoxy)acetic acid
PubChem CID114335185
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name2-(2-ethylsulfonylphenoxy)acetic acid
SMILESCCS(=O)(=O)c1ccccc1OCC(=O)O
InChIInChI=1S/C10H12O5S/c1-2-16(13,14)9-6-4-3-5-8(9)15-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyZKTIFBXRLDWIGZ-UHFFFAOYSA-N
XLogP0.94
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
(2-ethylsulfonylphenyl) benzoate
CID 174700811
2-(2-butoxyphenyl)sulfonylacetic acid
CID 151568979
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
1-ethylsulfonyl-2-phenoxybenzene
CID 122651417
1-ethylsulfonyl-2-pentoxybenzene;pentane
CID 174761718
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
CID 131854846
CID 131854846
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547
2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid
CID 114806162
3-(2-ethylsulfonylphenoxy)benzoic acid
CID 61395540

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylphenoxy)acetic acid?
The IUPAC name of 2-(2-ethylsulfonylphenoxy)acetic acid (CID 114335185) is 2-(2-ethylsulfonylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-ethylsulfonylphenoxy)acetic acid?
The canonical SMILES for 2-(2-ethylsulfonylphenoxy)acetic acid is CCS(=O)(=O)c1ccccc1OCC(=O)O.
What is the InChIKey of 2-(2-ethylsulfonylphenoxy)acetic acid?
The InChIKey is ZKTIFBXRLDWIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-2-16(13,14)9-6-4-3-5-8(9)15-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of 2-(2-ethylsulfonylphenoxy)acetic acid?
2-(2-ethylsulfonylphenoxy)acetic acid has a molecular weight of 244.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylphenoxy)acetic acid is sourced from PubChem (CID 114335185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).