2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol

C11H14O4S — CID 115044697

IUPAC2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)C1(CO)CCC1
InChIInChI=1S/C11H14O4S/c12-8-11(6-3-7-11)16(14,15)10-5-2-1-4-9(10)13/h1-2,4-5,12-13H,3,6-8H2
InChIKeyHVYZAVJHXTWUQZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.08
Rot. Bonds3

About 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol

2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol (PubChem CID 115044697) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol
PubChem CID115044697
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)C1(CO)CCC1
InChIInChI=1S/C11H14O4S/c12-8-11(6-3-7-11)16(14,15)10-5-2-1-4-9(10)13/h1-2,4-5,12-13H,3,6-8H2
InChIKeyHVYZAVJHXTWUQZ-UHFFFAOYSA-N
XLogP1.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol?
The IUPAC name of 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol (CID 115044697) is 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol is O=S(=O)(c1ccccc1O)C1(CO)CCC1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol?
The InChIKey is HVYZAVJHXTWUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c12-8-11(6-3-7-11)16(14,15)10-5-2-1-4-9(10)13/h1-2,4-5,12-13H,3,6-8H2.
What are the key properties of 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol?
2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol has a molecular weight of 242.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol is sourced from PubChem (CID 115044697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).