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

C14H14O4S — CID 101301757

IUPAC2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1c(C)cccc1O
InChIInChI=1S/C14H14O4S/c1-9-4-3-5-12(16)14(9)19(17,18)13-7-6-11(15)8-10(13)2/h3-8,15-16H,1-2H3
InChIKeyXMBDREQOYIBCGA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

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

2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol (PubChem CID 101301757) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol.

Molecular Properties

Compound Name2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
PubChem CID101301757
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1c(C)cccc1O
InChIInChI=1S/C14H14O4S/c1-9-4-3-5-12(16)14(9)19(17,18)13-7-6-11(15)8-10(13)2/h3-8,15-16H,1-2H3
InChIKeyXMBDREQOYIBCGA-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

2-(2-hydroxyphenyl)sulfonyl-3-methylphenol
CID 101301572
4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301909
5-(4-hydroxy-2-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301888
4-methyl-3-(2-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301646
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
CID 101301651
2-(5-hydroxy-2,3-dimethylphenyl)sulfonyl-3,6-dimethylphenol
CID 101301971
2,4-bis(2,6-dimethylphenyl)-7-hydroxynaphthalene-1,3-disulfonamide
CID 69068783
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302006

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
The IUPAC name of 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol (CID 101301757) is 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol.
What is the SMILES notation for 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
The canonical SMILES for 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol is Cc1cc(O)ccc1S(=O)(=O)c1c(C)cccc1O.
What is the InChIKey of 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
The InChIKey is XMBDREQOYIBCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-4-3-5-12(16)14(9)19(17,18)13-7-6-11(15)8-10(13)2/h3-8,15-16H,1-2H3.
What are the key properties of 2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
2-(4-hydroxy-2-methylphenyl)sulfonyl-3-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-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol is sourced from PubChem (CID 101301757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).