5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol

C15H16O4S — CID 101301888

IUPAC5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1cc(C)c(C)c(O)c1
InChIInChI=1S/C15H16O4S/c1-9-7-13(8-14(17)11(9)3)20(18,19)15-5-4-12(16)6-10(15)2/h4-8,16-17H,1-3H3
InChIKeyQLNRZMDMUHZSPG-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds2

About 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol

5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol (PubChem CID 101301888) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol.

Molecular Properties

Compound Name5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
PubChem CID101301888
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1cc(C)c(C)c(O)c1
InChIInChI=1S/C15H16O4S/c1-9-7-13(8-14(17)11(9)3)20(18,19)15-5-4-12(16)6-10(15)2/h4-8,16-17H,1-3H3
InChIKeyQLNRZMDMUHZSPG-UHFFFAOYSA-N
XLogP2.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
CID 101301628
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
CID 101301757
3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
CID 130769314
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
4-(3-hydroxy-5-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301912
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol?
The IUPAC name of 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol (CID 101301888) is 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol.
What is the SMILES notation for 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol?
The canonical SMILES for 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol is Cc1cc(O)ccc1S(=O)(=O)c1cc(C)c(C)c(O)c1.
What is the InChIKey of 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol?
The InChIKey is QLNRZMDMUHZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-9-7-13(8-14(17)11(9)3)20(18,19)15-5-4-12(16)6-10(15)2/h4-8,16-17H,1-3H3.
What are the key properties of 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol?
5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol has a molecular weight of 292.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol is sourced from PubChem (CID 101301888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).