cyclopentyl-(4-methylsulfonylphenyl)methanol

C13H18O3S — CID 115840633

IUPACcyclopentyl-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)C2CCCC2)cc1
InChIInChI=1S/C13H18O3S/c1-17(15,16)12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-10,13-14H,2-5H2,1H3
InChIKeyWKHJVVRWDZHSAG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.31
Rot. Bonds3

About cyclopentyl-(4-methylsulfonylphenyl)methanol

cyclopentyl-(4-methylsulfonylphenyl)methanol (PubChem CID 115840633) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is cyclopentyl-(4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Namecyclopentyl-(4-methylsulfonylphenyl)methanol
PubChem CID115840633
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Namecyclopentyl-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)C2CCCC2)cc1
InChIInChI=1S/C13H18O3S/c1-17(15,16)12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-10,13-14H,2-5H2,1H3
InChIKeyWKHJVVRWDZHSAG-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
cyclohexyl-[4-(difluoromethyl)phenyl]methanol
CID 115524882
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
1-[2-[hydroxy-(4-methylsulfonylphenyl)methyl]aziridin-1-yl]ethanone
CID 175042279
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
cycloheptyl-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanol
CID 11269651
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(4-methylsulfonylphenyl)methanol?
The IUPAC name of cyclopentyl-(4-methylsulfonylphenyl)methanol (CID 115840633) is cyclopentyl-(4-methylsulfonylphenyl)methanol.
What is the SMILES notation for cyclopentyl-(4-methylsulfonylphenyl)methanol?
The canonical SMILES for cyclopentyl-(4-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(C(O)C2CCCC2)cc1.
What is the InChIKey of cyclopentyl-(4-methylsulfonylphenyl)methanol?
The InChIKey is WKHJVVRWDZHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-17(15,16)12-8-6-11(7-9-12)13(14)10-4-2-3-5-10/h6-10,13-14H,2-5H2,1H3.
What are the key properties of cyclopentyl-(4-methylsulfonylphenyl)methanol?
cyclopentyl-(4-methylsulfonylphenyl)methanol has a molecular weight of 254.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 115840633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).