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

C14H14O4S — CID 101301743

IUPAC2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
SMILESCc1ccc(S(=O)(=O)c2cc(O)ccc2C)c(O)c1
InChIInChI=1S/C14H14O4S/c1-9-3-6-13(12(16)7-9)19(17,18)14-8-11(15)5-4-10(14)2/h3-8,15-16H,1-2H3
InChIKeyFJQVSOJMIZOQNX-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

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

2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol (PubChem CID 101301743) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol.

Molecular Properties

Compound Name2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
PubChem CID101301743
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
SMILESCc1ccc(S(=O)(=O)c2cc(O)ccc2C)c(O)c1
InChIInChI=1S/C14H14O4S/c1-9-3-6-13(12(16)7-9)19(17,18)14-8-11(15)5-4-10(14)2/h3-8,15-16H,1-2H3
InChIKeyFJQVSOJMIZOQNX-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

3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
2,4-bis[(2,5-dimethylphenyl)sulfonyl]-5-methylphenol
CID 19349241
2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
CID 101301580
3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol
CID 67693182
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
2,5-dimethylphenol;4-methylphenol
CID 67649093
2,5-dihydroxybenzenesulfonic acid;4-methylbenzenesulfonic acid
CID 86745410
2,4-bis[(2,4-dimethylphenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696732
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424557

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
The IUPAC name of 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol (CID 101301743) is 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol.
What is the SMILES notation for 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
The canonical SMILES for 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol is Cc1ccc(S(=O)(=O)c2cc(O)ccc2C)c(O)c1.
What is the InChIKey of 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
The InChIKey is FJQVSOJMIZOQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-3-6-13(12(16)7-9)19(17,18)14-8-11(15)5-4-10(14)2/h3-8,15-16H,1-2H3.
What are the key properties of 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol?
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-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 2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol is sourced from PubChem (CID 101301743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).