2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid

C17H18O6S — CID 11393975

IUPAC2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid
SMILESCCS(=O)(=O)c1ccc(-c2cc(OC)ccc2OCC(=O)O)cc1
InChIInChI=1S/C17H18O6S/c1-3-24(20,21)14-7-4-12(5-8-14)15-10-13(22-2)6-9-16(15)23-11-17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyNWEINDUWVIEOEE-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.62
Rot. Bonds7

About 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid

2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid (PubChem CID 11393975) has the molecular formula C17H18O6S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid
PubChem CID11393975
Molecular FormulaC17H18O6S
Molecular Weight350.39 g/mol
Exact Mass350.08
IUPAC Name2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid
SMILESCCS(=O)(=O)c1ccc(-c2cc(OC)ccc2OCC(=O)O)cc1
InChIInChI=1S/C17H18O6S/c1-3-24(20,21)14-7-4-12(5-8-14)15-10-13(22-2)6-9-16(15)23-11-17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyNWEINDUWVIEOEE-UHFFFAOYSA-N
XLogP2.62
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[5-(4-ethylsulfonylphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
CID 58956085
2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid
CID 67924191
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-[2-(4-ethylsulfonyl-2-methylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 53359023
2-[2-(4-ethylsulfonyl-2-fluorophenyl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 58333663
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
CID 11338670
2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
CID 142685473
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[4-(bromomethylsulfonyl)phenoxy]acetic acid
CID 89074219

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid (CID 11393975) is 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid is CCS(=O)(=O)c1ccc(-c2cc(OC)ccc2OCC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid?
The InChIKey is NWEINDUWVIEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6S/c1-3-24(20,21)14-7-4-12(5-8-14)15-10-13(22-2)6-9-16(15)23-11-17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid?
2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid has a molecular weight of 350.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid is sourced from PubChem (CID 11393975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).