4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol

C15H16O3S — CID 20719205

IUPAC4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C15H16O3S/c1-10-4-5-13(8-11(10)2)19(17,18)14-6-7-15(16)12(3)9-14/h4-9,16H,1-3H3
InChIKeyCFNMAFULSMRQQU-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.15
Rot. Bonds2

About 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol

4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol (PubChem CID 20719205) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
PubChem CID20719205
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
SMILESCc1ccc(S(=O)(=O)c2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C15H16O3S/c1-10-4-5-13(8-11(10)2)19(17,18)14-6-7-15(16)12(3)9-14/h4-9,16H,1-3H3
InChIKeyCFNMAFULSMRQQU-UHFFFAOYSA-N
XLogP3.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
silver 4-hydroxy-3-methylbenzenesulfonate
CID 174992481
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
4-(4-ethyl-3-methylphenyl)sulfonyl-1,2-dimethylbenzene
CID 90181116
3,4-dimethylbenzenesulfonic acid;iron
CID 174654800
3,4-dimethylbenzenesulfonic acid;hydrate
CID 155773835
5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
CID 165003603
calcium;3,4-dimethylbenzenesulfonic acid;hydride
CID 173320059
4-(4-but-2-en-2-yloxyphenyl)sulfonyl-1,2-dimethylbenzene
CID 123774029
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfonylbenzene
CID 3090076
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol (CID 20719205) is 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol is Cc1ccc(S(=O)(=O)c2ccc(O)c(C)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol?
The InChIKey is CFNMAFULSMRQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-10-4-5-13(8-11(10)2)19(17,18)14-6-7-15(16)12(3)9-14/h4-9,16H,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol?
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol has a molecular weight of 276.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol is sourced from PubChem (CID 20719205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).