4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol

C25H20O5S — CID 90321363

IUPAC4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C25H20O5S/c1-18-2-14-24(15-3-18)31(27,28)25-16-12-23(13-17-25)30-22-10-8-21(9-11-22)29-20-6-4-19(26)5-7-20/h2-17,26H,1H3
InChIKeyUCWWZPLFNUPXBM-UHFFFAOYSA-N
MW432.50 g/mol
LogP6.12
Rot. Bonds6

About 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol

4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol (PubChem CID 90321363) has the molecular formula C25H20O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol.

Molecular Properties

Compound Name4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
PubChem CID90321363
Molecular FormulaC25H20O5S
Molecular Weight432.50 g/mol
Exact Mass432.10
IUPAC Name4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C25H20O5S/c1-18-2-14-24(15-3-18)31(27,28)25-16-12-23(13-17-25)30-22-10-8-21(9-11-22)29-20-6-4-19(26)5-7-20/h2-17,26H,1H3
InChIKeyUCWWZPLFNUPXBM-UHFFFAOYSA-N
XLogP6.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
(4-methoxyphenyl)-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]phenol
CID 157225733
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol?
The IUPAC name of 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol (CID 90321363) is 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol.
What is the SMILES notation for 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol?
The canonical SMILES for 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol is Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol?
The InChIKey is UCWWZPLFNUPXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O5S/c1-18-2-14-24(15-3-18)31(27,28)25-16-12-23(13-17-25)30-22-10-8-21(9-11-22)29-20-6-4-19(26)5-7-20/h2-17,26H,1H3.
What are the key properties of 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol?
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol has a molecular weight of 432.50 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol is sourced from PubChem (CID 90321363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).