2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid

C16H14Cl2O6S — CID 11338670

IUPAC2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
SMILESCCS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2OCC(=O)O)c(Cl)c1
InChIInChI=1S/C16H14Cl2O6S/c1-2-25(21,22)11-4-6-13(12(18)8-11)24-15-7-10(17)3-5-14(15)23-9-16(19)20/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyUBLYUSFUHDOYHN-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.04
Rot. Bonds7

About 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid

2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid (PubChem CID 11338670) has the molecular formula C16H14Cl2O6S and a molecular weight of 405.26 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
PubChem CID11338670
Molecular FormulaC16H14Cl2O6S
Molecular Weight405.26 g/mol
Exact Mass403.99
IUPAC Name2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
SMILESCCS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2OCC(=O)O)c(Cl)c1
InChIInChI=1S/C16H14Cl2O6S/c1-2-25(21,22)11-4-6-13(12(18)8-11)24-15-7-10(17)3-5-14(15)23-9-16(19)20/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyUBLYUSFUHDOYHN-UHFFFAOYSA-N
XLogP4.04
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
CID 54586637
2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid
CID 69139589
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)-N-methylanilino]acetic acid
CID 11711148
3-[2-(2-chloro-4-methylsulfonylphenoxy)-4-fluorophenoxy]prop-1-en-2-ol
CID 143006225
2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline
CID 69225847
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 61375214
2-[2-(4-ethylsulfonyl-2-fluorophenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333663

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid (CID 11338670) is 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid is CCS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2OCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid?
The InChIKey is UBLYUSFUHDOYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O6S/c1-2-25(21,22)11-4-6-13(12(18)8-11)24-15-7-10(17)3-5-14(15)23-9-16(19)20/h3-8H,2,9H2,1H3,(H,19,20).
What are the key properties of 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid?
2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid has a molecular weight of 405.26 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid is sourced from PubChem (CID 11338670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).