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

C15H12Cl2O5S — CID 54586637

IUPAC2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1
InChIInChI=1S/C15H12Cl2O5S/c1-23(20,21)10-3-4-11(13(17)7-10)12-6-9(16)2-5-14(12)22-8-15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRRDSWNIAKIQLQS-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.53
Rot. Bonds5

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

2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid (PubChem CID 54586637) has the molecular formula C15H12Cl2O5S and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
PubChem CID54586637
Molecular FormulaC15H12Cl2O5S
Molecular Weight375.23 g/mol
Exact Mass373.98
IUPAC Name2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1
InChIInChI=1S/C15H12Cl2O5S/c1-23(20,21)10-3-4-11(13(17)7-10)12-6-9(16)2-5-14(12)22-8-15(18)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRRDSWNIAKIQLQS-UHFFFAOYSA-N
XLogP3.53
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenyl]propanoic acid
CID 11530868
2-[4-chloro-2-(4-methylsulfonylphenyl)sulfinylphenoxy]acetic acid
CID 11326709
2-[2-[5-(azetidin-1-ylsulfonyl)-2-methylphenyl]-4-chlorophenoxy]acetic acid
CID 70673336
2-[4-chloro-2-[2-(5-methylsulfonyl-2-propan-2-ylphenyl)ethynyl]phenoxy]acetic acid
CID 56594650
2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid
CID 70673149
2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
CID 11338670
2-[4-chloro-2-[2-methyl-5-(propan-2-ylsulfamoyl)phenyl]phenoxy]acetic acid
CID 70673214
tert-butyl 2-[4-chloro-2-(4-methylsulfonylphenyl)phenoxy]acetate
CID 70673466
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium;2-[2-(2-chloro-4-methylsulfonylphenyl)sulfanyl-4-fluorophenoxy]acetic acid;hydride
CID 67346100
2-[2-[(2-chloro-4-methylsulfonylphenyl)methyl]-4-(trifluoromethyl)phenoxy]acetic acid
CID 58516131

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid (CID 54586637) is 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid is CS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid?
The InChIKey is RRDSWNIAKIQLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O5S/c1-23(20,21)10-3-4-11(13(17)7-10)12-6-9(16)2-5-14(12)22-8-15(18)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid?
2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid has a molecular weight of 375.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-chloro-4-methylsulfonylphenyl)phenoxy]acetic acid is sourced from PubChem (CID 54586637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).