3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol

C14H14O4S — CID 101301765

IUPAC3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
SMILESCc1ccc(O)cc1S(=O)(=O)c1cc(O)ccc1C
InChIInChI=1S/C14H14O4S/c1-9-3-5-11(15)7-13(9)19(17,18)14-8-12(16)6-4-10(14)2/h3-8,15-16H,1-2H3
InChIKeyMBJQEZFUTBPBAF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol

3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol (PubChem CID 101301765) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol.

Molecular Properties

Compound Name3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
PubChem CID101301765
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
SMILESCc1ccc(O)cc1S(=O)(=O)c1cc(O)ccc1C
InChIInChI=1S/C14H14O4S/c1-9-3-5-11(15)7-13(9)19(17,18)14-8-12(16)6-4-10(14)2/h3-8,15-16H,1-2H3
InChIKeyMBJQEZFUTBPBAF-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

4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
5-hydroxy-N,N,2-trimethylbenzenesulfonamide
CID 21127023
3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol
CID 67693182
5-hydroxy-2-methylbenzenesulfonate;tetraethylazanium
CID 87657580
aminourea;5-hydroxy-2-methylbenzenesulfonic acid
CID 87903810
2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
CID 19349241
5-hydroxy-2-methylbenzenesulfonic acid;morpholine
CID 88713946
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
CID 101301971
3,4-dimethylphenol;hydrofluoride
CID 163210270

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol?
The IUPAC name of 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol (CID 101301765) is 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol.
What is the SMILES notation for 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol?
The canonical SMILES for 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol is Cc1ccc(O)cc1S(=O)(=O)c1cc(O)ccc1C.
What is the InChIKey of 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol?
The InChIKey is MBJQEZFUTBPBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-3-5-11(15)7-13(9)19(17,18)14-8-12(16)6-4-10(14)2/h3-8,15-16H,1-2H3.
What are the key properties of 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol?
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol 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 3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol is sourced from PubChem (CID 101301765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).