2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol

C15H14Cl2O4S — CID 86035044

IUPAC2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2O4S/c1-9(2)21-10-3-5-11(6-4-10)22(19,20)12-7-13(16)15(18)14(17)8-12/h3-9,18H,1-2H3
InChIKeyZRJJGDRUFGWJJT-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.32
Rot. Bonds4

About 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol

2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol (PubChem CID 86035044) has the molecular formula C15H14Cl2O4S and a molecular weight of 361.25 g/mol. Its IUPAC name is 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol.

Molecular Properties

Compound Name2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol
PubChem CID86035044
Molecular FormulaC15H14Cl2O4S
Molecular Weight361.25 g/mol
Exact Mass360.00
IUPAC Name2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol
SMILESCC(C)Oc1ccc(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2O4S/c1-9(2)21-10-3-5-11(6-4-10)22(19,20)12-7-13(16)15(18)14(17)8-12/h3-9,18H,1-2H3
InChIKeyZRJJGDRUFGWJJT-UHFFFAOYSA-N
XLogP4.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylphenol
CID 19967672
4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
CID 66718430
[4-(4-propan-2-yloxyphenyl)sulfonylphenyl] 4-chlorobenzoate
CID 139644161
1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
CID 148598428
bis(3,5-dichloro-4-hydroxyphenyl)methanone;4-(4-hydroxyphenyl)sulfonylphenol
CID 158560706
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
4-[4-[1-[4-[4-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethoxy]phenyl]phenoxy]ethoxy]phenyl]sulfonylphenol
CID 67017164
2-(benzenesulfonyl)-5-propan-2-yloxyphenol
CID 22133617
1-(7-phenoxyheptoxy)-4-(4-propan-2-yloxyphenyl)sulfonylbenzene
CID 154513847
2-chloro-4-(4-propan-2-yloxyphenyl)phenol
CID 83131131
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
4-[4-[1-[1-[4-(4-hydroxyphenyl)sulfonylphenoxy]ethylsulfanylmethylsulfanyl]ethoxy]phenyl]sulfonylphenol
CID 87292826

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
The IUPAC name of 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol (CID 86035044) is 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol.
What is the SMILES notation for 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
The canonical SMILES for 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol is CC(C)Oc1ccc(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
The InChIKey is ZRJJGDRUFGWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O4S/c1-9(2)21-10-3-5-11(6-4-10)22(19,20)12-7-13(16)15(18)14(17)8-12/h3-9,18H,1-2H3.
What are the key properties of 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol?
2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol has a molecular weight of 361.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(4-propan-2-yloxyphenyl)sulfonylphenol is sourced from PubChem (CID 86035044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).