4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol

C26H22O4S — CID 22237238

IUPAC4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol
SMILESCc1cc(S(=O)(=O)c2cc(-c3ccccc3)c(O)c(C)c2-c2ccccc2)ccc1O
InChIInChI=1S/C26H22O4S/c1-17-15-21(13-14-23(17)27)31(29,30)24-16-22(19-9-5-3-6-10-19)26(28)18(2)25(24)20-11-7-4-8-12-20/h3-16,27-28H,1-2H3
InChIKeyQSLAKBNCTPQSMQ-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.88
Rot. Bonds4

About 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol

4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol (PubChem CID 22237238) has the molecular formula C26H22O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol
PubChem CID22237238
Molecular FormulaC26H22O4S
Molecular Weight430.53 g/mol
Exact Mass430.12
IUPAC Name4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol
SMILESCc1cc(S(=O)(=O)c2cc(-c3ccccc3)c(O)c(C)c2-c2ccccc2)ccc1O
InChIInChI=1S/C26H22O4S/c1-17-15-21(13-14-23(17)27)31(29,30)24-16-22(19-9-5-3-6-10-19)26(28)18(2)25(24)20-11-7-4-8-12-20/h3-16,27-28H,1-2H3
InChIKeyQSLAKBNCTPQSMQ-UHFFFAOYSA-N
XLogP5.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol (CID 22237238) is 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol is Cc1cc(S(=O)(=O)c2cc(-c3ccccc3)c(O)c(C)c2-c2ccccc2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol?
The InChIKey is QSLAKBNCTPQSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4S/c1-17-15-21(13-14-23(17)27)31(29,30)24-16-22(19-9-5-3-6-10-19)26(28)18(2)25(24)20-11-7-4-8-12-20/h3-16,27-28H,1-2H3.
What are the key properties of 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol?
4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol has a molecular weight of 430.53 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol is sourced from PubChem (CID 22237238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).