1-(1-benzothiophen-7-yl)-2-cyclopentylethanol

C15H18OS — CID 115827369

IUPAC1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
SMILESOC(CC1CCCC1)c1cccc2ccsc12
InChIInChI=1S/C15H18OS/c16-14(10-11-4-1-2-5-11)13-7-3-6-12-8-9-17-15(12)13/h3,6-9,11,14,16H,1-2,4-5,10H2
InChIKeyACRGQIMRECOARK-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.51
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol

1-(1-benzothiophen-7-yl)-2-cyclopentylethanol (PubChem CID 115827369) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
PubChem CID115827369
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
SMILESOC(CC1CCCC1)c1cccc2ccsc12
InChIInChI=1S/C15H18OS/c16-14(10-11-4-1-2-5-11)13-7-3-6-12-8-9-17-15(12)13/h3,6-9,11,14,16H,1-2,4-5,10H2
InChIKeyACRGQIMRECOARK-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
CID 81146469
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
CID 81154320
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
[1-(1-benzothiophen-7-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227744
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
[1-(1-benzothiophen-7-yl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267339
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
CID 81152861
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol (CID 115827369) is 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol is OC(CC1CCCC1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol?
The InChIKey is ACRGQIMRECOARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c16-14(10-11-4-1-2-5-11)13-7-3-6-12-8-9-17-15(12)13/h3,6-9,11,14,16H,1-2,4-5,10H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol?
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol has a molecular weight of 246.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-cyclopentylethanol is sourced from PubChem (CID 115827369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).