3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol

C12H16O4S — CID 115047800

IUPAC3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)C1(CO)CCCC1
InChIInChI=1S/C12H16O4S/c13-9-12(6-1-2-7-12)17(15,16)11-5-3-4-10(14)8-11/h3-5,8,13-14H,1-2,6-7,9H2
InChIKeyIJVLNYDQFGUANA-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.47
Rot. Bonds3

About 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol

3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol (PubChem CID 115047800) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
PubChem CID115047800
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)C1(CO)CCCC1
InChIInChI=1S/C12H16O4S/c13-9-12(6-1-2-7-12)17(15,16)11-5-3-4-10(14)8-11/h3-5,8,13-14H,1-2,6-7,9H2
InChIKeyIJVLNYDQFGUANA-UHFFFAOYSA-N
XLogP1.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
The IUPAC name of 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol (CID 115047800) is 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol.
What is the SMILES notation for 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
The canonical SMILES for 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol is O=S(=O)(c1cccc(O)c1)C1(CO)CCCC1.
What is the InChIKey of 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
The InChIKey is IJVLNYDQFGUANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c13-9-12(6-1-2-7-12)17(15,16)11-5-3-4-10(14)8-11/h3-5,8,13-14H,1-2,6-7,9H2.
What are the key properties of 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol has a molecular weight of 256.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol is sourced from PubChem (CID 115047800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).