5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol

C14H14O4S — CID 101301651

IUPAC5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
SMILESCc1cccc(S(=O)(=O)c2c(C)cc(O)cc2O)c1
InChIInChI=1S/C14H14O4S/c1-9-4-3-5-12(6-9)19(17,18)14-10(2)7-11(15)8-13(14)16/h3-8,15-16H,1-2H3
InChIKeyJSMHRHMJYGQRHI-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol

5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol (PubChem CID 101301651) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol.

Molecular Properties

Compound Name5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
PubChem CID101301651
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
SMILESCc1cccc(S(=O)(=O)c2c(C)cc(O)cc2O)c1
InChIInChI=1S/C14H14O4S/c1-9-4-3-5-12(6-9)19(17,18)14-10(2)7-11(15)8-13(14)16/h3-8,15-16H,1-2H3
InChIKeyJSMHRHMJYGQRHI-UHFFFAOYSA-N
XLogP2.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
3-(3-methylphenyl)sulfonylphenol
CID 134285490
4-(3-methylphenyl)sulfonylphenol
CID 19739466
3-methyl-6-(3-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301677
3-methylbenzenesulfonamide
CID 69347063
4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301909
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
CID 101301580
methylidene-(3-methylphenyl)-oxo-(trifluoromethyl)-λ6-sulfane
CID 123408730
2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
CID 19349207
2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
CID 101301757
3-methylphenol;sulfuric acid
CID 70180616

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol?
The IUPAC name of 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol (CID 101301651) is 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol.
What is the SMILES notation for 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol?
The canonical SMILES for 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol is Cc1cccc(S(=O)(=O)c2c(C)cc(O)cc2O)c1.
What is the InChIKey of 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol?
The InChIKey is JSMHRHMJYGQRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-4-3-5-12(6-9)19(17,18)14-10(2)7-11(15)8-13(14)16/h3-8,15-16H,1-2H3.
What are the key properties of 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol?
5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol has a molecular weight of 278.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol is sourced from PubChem (CID 101301651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).