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

C32H26O8S2 — CID 67163625

IUPAC4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccccc1OCc1ccccc1COc1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C32H26O8S2/c33-25-13-17-27(18-14-25)41(35,36)31-11-5-3-9-29(31)39-21-23-7-1-2-8-24(23)22-40-30-10-4-6-12-32(30)42(37,38)28-19-15-26(34)16-20-28/h1-20,33-34H,21-22H2
InChIKeyVCNWVCOCOBUKMJ-UHFFFAOYSA-N
MW602.69 g/mol
LogP5.92
Rot. Bonds10

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

4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol (PubChem CID 67163625) has the molecular formula C32H26O8S2 and a molecular weight of 602.69 g/mol. Its IUPAC name is 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
PubChem CID67163625
Molecular FormulaC32H26O8S2
Molecular Weight602.69 g/mol
Exact Mass602.11
IUPAC Name4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)cc1)c1ccccc1OCc1ccccc1COc1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C32H26O8S2/c33-25-13-17-27(18-14-25)41(35,36)31-11-5-3-9-29(31)39-21-23-7-1-2-8-24(23)22-40-30-10-4-6-12-32(30)42(37,38)28-19-15-26(34)16-20-28/h1-20,33-34H,21-22H2
InChIKeyVCNWVCOCOBUKMJ-UHFFFAOYSA-N
XLogP5.92
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(2-pentoxyphenyl)sulfonylphenol
CID 101144520
2-[4-[4-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenoxy]phenyl]sulfonylphenol
CID 67162495
4-[4-[[2-[[4-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 22020849
1,2-bis[[2-[4-(1-phenylethoxy)phenyl]sulfonylphenoxy]methyl]benzene
CID 139826943
1-phenylmethoxy-2-[4-[[4-[[4-(2-phenylmethoxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylbenzene
CID 139826912
4-[2-(2-ethoxy-1-hydroxyethoxy)phenyl]sulfonylphenol
CID 91804797
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
CID 70636806
CID 70636806
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
4-(2-propan-2-ylphenyl)sulfonylphenol
CID 19759097
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379
3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301592

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
The IUPAC name of 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol (CID 67163625) is 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol.
What is the SMILES notation for 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
The canonical SMILES for 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol is O=S(=O)(c1ccc(O)cc1)c1ccccc1OCc1ccccc1COc1ccccc1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
The InChIKey is VCNWVCOCOBUKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O8S2/c33-25-13-17-27(18-14-25)41(35,36)31-11-5-3-9-29(31)39-21-23-7-1-2-8-24(23)22-40-30-10-4-6-12-32(30)42(37,38)28-19-15-26(34)16-20-28/h1-20,33-34H,21-22H2.
What are the key properties of 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol?
4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol has a molecular weight of 602.69 g/mol, XLogP of 5.92, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 67163625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).