2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol

C31H24O8S2 — CID 67162495

IUPAC2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(Oc2ccc(COc3ccccc3S(=O)(=O)c3ccc(O)cc3)cc2)cc1)c1ccccc1O
InChIInChI=1S/C31H24O8S2/c32-23-11-17-26(18-12-23)41(36,37)31-8-4-2-6-29(31)38-21-22-9-13-24(14-10-22)39-25-15-19-27(20-16-25)40(34,35)30-7-3-1-5-28(30)33/h1-20,32-33H,21H2
InChIKeyARHQVCQTZGKJHK-UHFFFAOYSA-N
MW588.66 g/mol
LogP6.13
Rot. Bonds9

About 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol

2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol (PubChem CID 67162495) has the molecular formula C31H24O8S2 and a molecular weight of 588.66 g/mol. Its IUPAC name is 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
PubChem CID67162495
Molecular FormulaC31H24O8S2
Molecular Weight588.66 g/mol
Exact Mass588.09
IUPAC Name2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(Oc2ccc(COc3ccccc3S(=O)(=O)c3ccc(O)cc3)cc2)cc1)c1ccccc1O
InChIInChI=1S/C31H24O8S2/c32-23-11-17-26(18-12-23)41(36,37)31-8-4-2-6-29(31)38-21-22-9-13-24(14-10-22)39-25-15-19-27(20-16-25)40(34,35)30-7-3-1-5-28(30)33/h1-20,32-33H,21H2
InChIKeyARHQVCQTZGKJHK-UHFFFAOYSA-N
XLogP6.13
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol with MolForge

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Related Compounds

1-phenylmethoxy-2-[4-[[4-[[4-(2-phenylmethoxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylbenzene
CID 139826912
4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 67163625
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379
4-(2-pentoxyphenyl)sulfonylphenol
CID 101144520
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[2-[[4-[2-[4-[[4-[2-(4-hydroxyphenyl)sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]sulfonylphenol
CID 22131589
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
CID 20521157
2-[4-[2-[2-[4-(2-hydroxyphenyl)sulfonylphenoxy]ethylsulfanyl]ethoxy]phenyl]sulfonylphenol
CID 67163889
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 22020849
sodium 2-[(4-fluorophenyl)methoxy]benzenesulfonate
CID 141013409

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol?
The IUPAC name of 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol (CID 67162495) is 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol.
What is the SMILES notation for 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol?
The canonical SMILES for 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol is O=S(=O)(c1ccc(Oc2ccc(COc3ccccc3S(=O)(=O)c3ccc(O)cc3)cc2)cc1)c1ccccc1O.
What is the InChIKey of 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol?
The InChIKey is ARHQVCQTZGKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O8S2/c32-23-11-17-26(18-12-23)41(36,37)31-8-4-2-6-29(31)38-21-22-9-13-24(14-10-22)39-25-15-19-27(20-16-25)40(34,35)30-7-3-1-5-28(30)33/h1-20,32-33H,21H2.
What are the key properties of 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol?
2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol has a molecular weight of 588.66 g/mol, XLogP of 6.13, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 67162495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).