2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol

C14H19FO2S — CID 82770118

IUPAC2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(O)CSC1CCCC1
InChIInChI=1S/C14H19FO2S/c1-17-14-7-6-10(15)8-12(14)13(16)9-18-11-4-2-3-5-11/h6-8,11,13,16H,2-5,9H2,1H3
InChIKeyKDQIGUMFTQXBBJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.54
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol

2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol (PubChem CID 82770118) has the molecular formula C14H19FO2S and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
PubChem CID82770118
Molecular FormulaC14H19FO2S
Molecular Weight270.37 g/mol
Exact Mass270.11
IUPAC Name2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(O)CSC1CCCC1
InChIInChI=1S/C14H19FO2S/c1-17-14-7-6-10(15)8-12(14)13(16)9-18-11-4-2-3-5-11/h6-8,11,13,16H,2-5,9H2,1H3
InChIKeyKDQIGUMFTQXBBJ-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105227559
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
CID 65138964
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol (CID 82770118) is 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol is COc1ccc(F)cc1C(O)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is KDQIGUMFTQXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2S/c1-17-14-7-6-10(15)8-12(14)13(16)9-18-11-4-2-3-5-11/h6-8,11,13,16H,2-5,9H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol?
2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 270.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 82770118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).