2-(3-cyclopentylsulfonylphenyl)ethanol

C13H18O3S — CID 69436577

IUPAC2-(3-cyclopentylsulfonylphenyl)ethanol
SMILESO=S(=O)(c1cccc(CCO)c1)C1CCCC1
InChIInChI=1S/C13H18O3S/c14-9-8-11-4-3-7-13(10-11)17(15,16)12-5-1-2-6-12/h3-4,7,10,12,14H,1-2,5-6,8-9H2
InChIKeyKQPAJPZAFMJPLJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-cyclopentylsulfonylphenyl)ethanol

2-(3-cyclopentylsulfonylphenyl)ethanol (PubChem CID 69436577) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(3-cyclopentylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-cyclopentylsulfonylphenyl)ethanol
PubChem CID69436577
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name2-(3-cyclopentylsulfonylphenyl)ethanol
SMILESO=S(=O)(c1cccc(CCO)c1)C1CCCC1
InChIInChI=1S/C13H18O3S/c14-9-8-11-4-3-7-13(10-11)17(15,16)12-5-1-2-6-12/h3-4,7,10,12,14H,1-2,5-6,8-9H2
InChIKeyKQPAJPZAFMJPLJ-UHFFFAOYSA-N
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfonylphenyl)ethanol
CID 68870168
N-benzyl-6-[4-(3-cyclopentylsulfonylphenyl)butoxy]hexan-1-amine
CID 69119361
1-cyclobutylsulfonyl-3-fluorobenzene
CID 141111892
(3-cyclohexylsulfonylphenyl)-diphenylsulfanium
CID 155764700
N-(3-cyclopentylsulfonylphenyl)-3-(4-ethylphenyl)propanamide
CID 55612776
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
4-[(1R)-2-[6-[5-(3-cyclopentylsulfonylphenyl)pentoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 10482961
4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943568
4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 91651646
CID 89024956
CID 89024956
N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410338
2-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117305725

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylsulfonylphenyl)ethanol?
The IUPAC name of 2-(3-cyclopentylsulfonylphenyl)ethanol (CID 69436577) is 2-(3-cyclopentylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(3-cyclopentylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(3-cyclopentylsulfonylphenyl)ethanol is O=S(=O)(c1cccc(CCO)c1)C1CCCC1.
What is the InChIKey of 2-(3-cyclopentylsulfonylphenyl)ethanol?
The InChIKey is KQPAJPZAFMJPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c14-9-8-11-4-3-7-13(10-11)17(15,16)12-5-1-2-6-12/h3-4,7,10,12,14H,1-2,5-6,8-9H2.
What are the key properties of 2-(3-cyclopentylsulfonylphenyl)ethanol?
2-(3-cyclopentylsulfonylphenyl)ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylsulfonylphenyl)ethanol is sourced from PubChem (CID 69436577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).