4-(2-propan-2-ylphenyl)sulfonylphenol

C15H16O3S — CID 19759097

IUPAC4-(2-propan-2-ylphenyl)sulfonylphenol
SMILESCC(C)c1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C15H16O3S/c1-11(2)14-5-3-4-6-15(14)19(17,18)13-9-7-12(16)8-10-13/h3-11,16H,1-2H3
InChIKeyUBNDDCRQDWKKEL-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.35
Rot. Bonds3

About 4-(2-propan-2-ylphenyl)sulfonylphenol

4-(2-propan-2-ylphenyl)sulfonylphenol (PubChem CID 19759097) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(2-propan-2-ylphenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(2-propan-2-ylphenyl)sulfonylphenol
PubChem CID19759097
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name4-(2-propan-2-ylphenyl)sulfonylphenol
SMILESCC(C)c1ccccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C15H16O3S/c1-11(2)14-5-3-4-6-15(14)19(17,18)13-9-7-12(16)8-10-13/h3-11,16H,1-2H3
InChIKeyUBNDDCRQDWKKEL-UHFFFAOYSA-N
XLogP3.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylphenyl)sulfonylphenol?
The IUPAC name of 4-(2-propan-2-ylphenyl)sulfonylphenol (CID 19759097) is 4-(2-propan-2-ylphenyl)sulfonylphenol.
What is the SMILES notation for 4-(2-propan-2-ylphenyl)sulfonylphenol?
The canonical SMILES for 4-(2-propan-2-ylphenyl)sulfonylphenol is CC(C)c1ccccc1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-propan-2-ylphenyl)sulfonylphenol?
The InChIKey is UBNDDCRQDWKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-11(2)14-5-3-4-6-15(14)19(17,18)13-9-7-12(16)8-10-13/h3-11,16H,1-2H3.
What are the key properties of 4-(2-propan-2-ylphenyl)sulfonylphenol?
4-(2-propan-2-ylphenyl)sulfonylphenol has a molecular weight of 276.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylphenyl)sulfonylphenol is sourced from PubChem (CID 19759097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).