2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol

C15H22O3S — CID 65138752

IUPAC2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CSC2CCCC2)cc1OC
InChIInChI=1S/C15H22O3S/c1-17-14-8-7-11(9-15(14)18-2)13(16)10-19-12-5-3-4-6-12/h7-9,12-13,16H,3-6,10H2,1-2H3
InChIKeyGWARVZYHQVEEDP-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.41
Rot. Bonds6

About 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol

2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 65138752) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID65138752
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CSC2CCCC2)cc1OC
InChIInChI=1S/C15H22O3S/c1-17-14-8-7-11(9-15(14)18-2)13(16)10-19-12-5-3-4-6-12/h7-9,12-13,16H,3-6,10H2,1-2H3
InChIKeyGWARVZYHQVEEDP-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82770118
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
CID 81220822
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
CID 65139338
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 107288481
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
2-(2-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 60725965
(1S)-2-(4-cyclohexylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 95104680
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol (CID 65138752) is 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)CSC2CCCC2)cc1OC.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is GWARVZYHQVEEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-17-14-8-7-11(9-15(14)18-2)13(16)10-19-12-5-3-4-6-12/h7-9,12-13,16H,3-6,10H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol?
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 282.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 65138752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).