2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid

C16H15ClO6S — CID 69139589

IUPAC2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid
SMILESCCS(=O)(=O)c1ccc(Oc2cc(O)cc(CC(=O)O)c2)c(Cl)c1
InChIInChI=1S/C16H15ClO6S/c1-2-24(21,22)13-3-4-15(14(17)9-13)23-12-6-10(7-16(19)20)5-11(18)8-12/h3-6,8-9,18H,2,7H2,1H3,(H,19,20)
InChIKeyVKSZWCLXSKODFF-UHFFFAOYSA-N
MW370.81 g/mol
LogP3.26
Rot. Bonds6

About 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid

2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid (PubChem CID 69139589) has the molecular formula C16H15ClO6S and a molecular weight of 370.81 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid
PubChem CID69139589
Molecular FormulaC16H15ClO6S
Molecular Weight370.81 g/mol
Exact Mass370.03
IUPAC Name2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid
SMILESCCS(=O)(=O)c1ccc(Oc2cc(O)cc(CC(=O)O)c2)c(Cl)c1
InChIInChI=1S/C16H15ClO6S/c1-2-24(21,22)13-3-4-15(14(17)9-13)23-12-6-10(7-16(19)20)5-11(18)8-12/h3-6,8-9,18H,2,7H2,1H3,(H,19,20)
InChIKeyVKSZWCLXSKODFF-UHFFFAOYSA-N
XLogP3.26
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-2-(2-chloro-4-ethylsulfonylphenoxy)phenoxy]acetic acid
CID 11338670
2-[3-chloro-5-(2-chloro-4-methylsulfonylphenoxy)phenyl]-N-propylsulfonylacetamide
CID 59850281
[(Z)-[1-amino-2-[3-(4-benzylsulfonyl-2-chlorophenoxy)-5-chlorophenyl]ethylidene]hydrazinylidene]azanium
CID 143485401
2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline
CID 69225847
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 35978496
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
CID 15581880
2-chloro-4-ethylsulfonyl-1-methylbenzene
CID 21187106
2-chloro-4-ethylsulfonyl-1-propylbenzene
CID 59864430
3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide
CID 107680944
2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
CID 123385522

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid (CID 69139589) is 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid is CCS(=O)(=O)c1ccc(Oc2cc(O)cc(CC(=O)O)c2)c(Cl)c1.
What is the InChIKey of 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid?
The InChIKey is VKSZWCLXSKODFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO6S/c1-2-24(21,22)13-3-4-15(14(17)9-13)23-12-6-10(7-16(19)20)5-11(18)8-12/h3-6,8-9,18H,2,7H2,1H3,(H,19,20).
What are the key properties of 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid?
2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid has a molecular weight of 370.81 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-hydroxyphenyl]acetic acid is sourced from PubChem (CID 69139589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).