2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol

C23H24O5S2 — CID 19349241

IUPAC2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
SMILESCc1ccc(C)c(S(=O)(=O)c2cc(S(=O)(=O)c3cc(C)ccc3C)c(O)cc2C)c1
InChIInChI=1S/C23H24O5S2/c1-14-6-8-16(3)20(10-14)29(25,26)22-13-23(19(24)12-18(22)5)30(27,28)21-11-15(2)7-9-17(21)4/h6-13,24H,1-5H3
InChIKeyBZGLMPMQTOOGRI-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.60
Rot. Bonds4

About 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol

2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol (PubChem CID 19349241) has the molecular formula C23H24O5S2 and a molecular weight of 444.57 g/mol. Its IUPAC name is 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol.

Molecular Properties

Compound Name2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
PubChem CID19349241
Molecular FormulaC23H24O5S2
Molecular Weight444.57 g/mol
Exact Mass444.11
IUPAC Name2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
SMILESCc1ccc(C)c(S(=O)(=O)c2cc(S(=O)(=O)c3cc(C)ccc3C)c(O)cc2C)c1
InChIInChI=1S/C23H24O5S2/c1-14-6-8-16(3)20(10-14)29(25,26)22-13-23(19(24)12-18(22)5)30(27,28)21-11-15(2)7-9-17(21)4/h6-13,24H,1-5H3
InChIKeyBZGLMPMQTOOGRI-UHFFFAOYSA-N
XLogP4.60
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
2,4-bis[(2,4-dimethylphenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696732
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047
2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700
3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301972
2,4-bis[(4-ethylphenyl)sulfonyl]-5-methylphenol
CID 139696741
N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940
azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
CID 146681212

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol?
The IUPAC name of 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol (CID 19349241) is 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol.
What is the SMILES notation for 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol?
The canonical SMILES for 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol is Cc1ccc(C)c(S(=O)(=O)c2cc(S(=O)(=O)c3cc(C)ccc3C)c(O)cc2C)c1.
What is the InChIKey of 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol?
The InChIKey is BZGLMPMQTOOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5S2/c1-14-6-8-16(3)20(10-14)29(25,26)22-13-23(19(24)12-18(22)5)30(27,28)21-11-15(2)7-9-17(21)4/h6-13,24H,1-5H3.
What are the key properties of 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol?
2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol has a molecular weight of 444.57 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol is sourced from PubChem (CID 19349241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).