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

C15H16O4S — CID 101301893

IUPAC3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(O)cc(C)c2C)ccc1O
InChIInChI=1S/C15H16O4S/c1-9-6-12(16)8-15(11(9)3)20(18,19)13-4-5-14(17)10(2)7-13/h4-8,16-17H,1-3H3
InChIKeyLEXFJOUWVZPKTF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds2

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

3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol (PubChem CID 101301893) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
PubChem CID101301893
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cc(O)cc(C)c2C)ccc1O
InChIInChI=1S/C15H16O4S/c1-9-6-12(16)8-15(11(9)3)20(18,19)13-4-5-14(17)10(2)7-13/h4-8,16-17H,1-3H3
InChIKeyLEXFJOUWVZPKTF-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

4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
CID 20719205
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
silver 4-hydroxy-3-methylbenzenesulfonate
CID 174992481
5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301888
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
CID 101301971
4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol
CID 22237238
5-(4-hydroxyphenyl)sulfonyl-2,3-dimethylphenol
CID 101301628
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
3-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-2,4,6-trimethylphenol
CID 101302163
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
4-(3-hydroxy-5-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301912

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol (CID 101301893) is 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol is Cc1cc(S(=O)(=O)c2cc(O)cc(C)c2C)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol?
The InChIKey is LEXFJOUWVZPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-9-6-12(16)8-15(11(9)3)20(18,19)13-4-5-14(17)10(2)7-13/h4-8,16-17H,1-3H3.
What are the key properties of 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol?
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-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 3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol is sourced from PubChem (CID 101301893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).