2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol

C24H26O5S2 — CID 19349207

IUPAC2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(O)c(S(=O)(=O)c3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C24H26O5S2/c1-14-9-16(3)23(17(4)10-14)30(26,27)20-7-8-21(25)22(13-20)31(28,29)24-18(5)11-15(2)12-19(24)6/h7-13,25H,1-6H3
InChIKeyJGCZCWDYYPQTAE-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.91
Rot. Bonds4

About 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol

2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol (PubChem CID 19349207) has the molecular formula C24H26O5S2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol.

Molecular Properties

Compound Name2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
PubChem CID19349207
Molecular FormulaC24H26O5S2
Molecular Weight458.60 g/mol
Exact Mass458.12
IUPAC Name2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(O)c(S(=O)(=O)c3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C24H26O5S2/c1-14-9-16(3)23(17(4)10-14)30(26,27)20-7-8-21(25)22(13-20)31(28,29)24-18(5)11-15(2)12-19(24)6/h7-13,25H,1-6H3
InChIKeyJGCZCWDYYPQTAE-UHFFFAOYSA-N
XLogP4.91
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302006
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
2-(2,4-dimethylphenyl)sulfonyl-4-[3-(2,4-dimethylphenyl)sulfonyl-4-[2-[2-[2-(2,4-dimethylphenyl)sulfonyl-4-[3-(2,4-dimethylphenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 139819709
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
CID 20719205
N-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]acetamide tetrafluoroborate
CID 44888751
5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
CID 101301651
3-[2-hydroxy-5-[4-hydroxy-3-(3-sulfophenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzenesulfonic acid
CID 89107671
2,5-dihydroxybenzenesulfonic acid;4-methylbenzenesulfonic acid
CID 86745410
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol?
The IUPAC name of 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol (CID 19349207) is 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol.
What is the SMILES notation for 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol?
The canonical SMILES for 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol is Cc1cc(C)c(S(=O)(=O)c2ccc(O)c(S(=O)(=O)c3c(C)cc(C)cc3C)c2)c(C)c1.
What is the InChIKey of 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol?
The InChIKey is JGCZCWDYYPQTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5S2/c1-14-9-16(3)23(17(4)10-14)30(26,27)20-7-8-21(25)22(13-20)31(28,29)24-18(5)11-15(2)12-19(24)6/h7-13,25H,1-6H3.
What are the key properties of 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol?
2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol has a molecular weight of 458.60 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol is sourced from PubChem (CID 19349207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).