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

C15H18OS — CID 114910842

IUPAC1-(1-benzothiophen-2-yl)-1-cyclopentylethanol
SMILESCC(O)(c1cc2ccccc2s1)C1CCCC1
InChIInChI=1S/C15H18OS/c1-15(16,12-7-3-4-8-12)14-10-11-6-2-5-9-13(11)17-14/h2,5-6,9-10,12,16H,3-4,7-8H2,1H3
InChIKeyHZJNUHQPDIVAAN-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.30
Rot. Bonds2

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

1-(1-benzothiophen-2-yl)-1-cyclopentylethanol (PubChem CID 114910842) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-cyclopentylethanol
PubChem CID114910842
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-(1-benzothiophen-2-yl)-1-cyclopentylethanol
SMILESCC(O)(c1cc2ccccc2s1)C1CCCC1
InChIInChI=1S/C15H18OS/c1-15(16,12-7-3-4-8-12)14-10-11-6-2-5-9-13(11)17-14/h2,5-6,9-10,12,16H,3-4,7-8H2,1H3
InChIKeyHZJNUHQPDIVAAN-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-1-cyclobutylethanol
CID 114910840
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 114910790
1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol
CID 114910821
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 114910890
1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 114910952
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
CID 99980583
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
2-(1-benzothiophen-2-yl)-4-methylpent-3-en-2-ol
CID 114910856
bis(1-benzothiophen-2-yl)-[4-[bis(1-benzothiophen-2-yl)-hydroxymethyl]phenyl]methanol
CID 122216387

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol (CID 114910842) is 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol is CC(O)(c1cc2ccccc2s1)C1CCCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol?
The InChIKey is HZJNUHQPDIVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-15(16,12-7-3-4-8-12)14-10-11-6-2-5-9-13(11)17-14/h2,5-6,9-10,12,16H,3-4,7-8H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol?
1-(1-benzothiophen-2-yl)-1-cyclopentylethanol has a molecular weight of 246.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-cyclopentylethanol is sourced from PubChem (CID 114910842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).