2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol

C12H16O4S — CID 115047799

IUPAC2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)C1(CO)CCCC1
InChIInChI=1S/C12H16O4S/c13-9-12(7-3-4-8-12)17(15,16)11-6-2-1-5-10(11)14/h1-2,5-6,13-14H,3-4,7-9H2
InChIKeyGUJCBHLAYYOYNQ-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.47
Rot. Bonds3

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

2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol (PubChem CID 115047799) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
PubChem CID115047799
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
SMILESO=S(=O)(c1ccccc1O)C1(CO)CCCC1
InChIInChI=1S/C12H16O4S/c13-9-12(7-3-4-8-12)17(15,16)11-6-2-1-5-10(11)14/h1-2,5-6,13-14H,3-4,7-9H2
InChIKeyGUJCBHLAYYOYNQ-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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Related Compounds

2-[1-(hydroxymethyl)cyclobutyl]sulfonylphenol
CID 115044697
3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
CID 115047800
[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine
CID 90313478
[1-(2,5-dimethylphenyl)sulfonylcyclobutyl]methanol
CID 117037518
1-[(2-sulfamoylanilino)methyl]cyclohexane-1-carboxylic acid
CID 115436037
2-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81245733
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115992904
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103965374
(1-thiophen-2-ylsulfonylcyclopropyl)methanol
CID 117037458
1-phenacylcyclopentane-1-sulfonic acid
CID 161345529
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
CID 61292362

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
The IUPAC name of 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol (CID 115047799) is 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol is O=S(=O)(c1ccccc1O)C1(CO)CCCC1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
The InChIKey is GUJCBHLAYYOYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c13-9-12(7-3-4-8-12)17(15,16)11-6-2-1-5-10(11)14/h1-2,5-6,13-14H,3-4,7-9H2.
What are the key properties of 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol?
2-[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 2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol is sourced from PubChem (CID 115047799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).