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

C14H14O4S — CID 14848719

IUPAC4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1C
InChIInChI=1S/C14H14O4S/c1-9-7-11(15)3-5-13(9)19(17,18)14-6-4-12(16)8-10(14)2/h3-8,15-16H,1-2H3
InChIKeyAKHZFKHOIVFHCH-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

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

4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol (PubChem CID 14848719) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
PubChem CID14848719
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1C
InChIInChI=1S/C14H14O4S/c1-9-7-11(15)3-5-13(9)19(17,18)14-6-4-12(16)8-10(14)2/h3-8,15-16H,1-2H3
InChIKeyAKHZFKHOIVFHCH-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
The IUPAC name of 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol (CID 14848719) is 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol.
What is the SMILES notation for 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
The canonical SMILES for 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol is Cc1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1C.
What is the InChIKey of 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
The InChIKey is AKHZFKHOIVFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-7-11(15)3-5-13(9)19(17,18)14-6-4-12(16)8-10(14)2/h3-8,15-16H,1-2H3.
What are the key properties of 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol?
4-(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 4-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol is sourced from PubChem (CID 14848719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).