2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol

C13H16Cl2OS — CID 60981166

IUPAC2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CSC1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2OS/c14-9-5-6-12(15)11(7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13,16H,1-4,8H2
InChIKeyGHRGWPJZWBAHCZ-UHFFFAOYSA-N
MW291.24 g/mol
LogP4.70
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol

2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol (PubChem CID 60981166) has the molecular formula C13H16Cl2OS and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
PubChem CID60981166
Molecular FormulaC13H16Cl2OS
Molecular Weight291.24 g/mol
Exact Mass290.03
IUPAC Name2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
SMILESOC(CSC1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2OS/c14-9-5-6-12(15)11(7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13,16H,1-4,8H2
InChIKeyGHRGWPJZWBAHCZ-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 65144498
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542
1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 65138589
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 103039599
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
CID 65138964
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol (CID 60981166) is 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol is OC(CSC1CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol?
The InChIKey is GHRGWPJZWBAHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2OS/c14-9-5-6-12(15)11(7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13,16H,1-4,8H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol?
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol has a molecular weight of 291.24 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 60981166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).