2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol

C15H22OS — CID 105090371

IUPAC2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
SMILESOC(CC1CCCC1)C1CCCc2sccc21
InChIInChI=1S/C15H22OS/c16-14(10-11-4-1-2-5-11)12-6-3-7-15-13(12)8-9-17-15/h8-9,11-12,14,16H,1-7,10H2
InChIKeyXDYUBVIMSGNRHM-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.11
Rot. Bonds3

About 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol

2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol (PubChem CID 105090371) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
PubChem CID105090371
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
SMILESOC(CC1CCCC1)C1CCCc2sccc21
InChIInChI=1S/C15H22OS/c16-14(10-11-4-1-2-5-11)12-6-3-7-15-13(12)8-9-17-15/h8-9,11-12,14,16H,1-7,10H2
InChIKeyXDYUBVIMSGNRHM-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090257
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
CID 105086077
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097836
2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105081906
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108662
(5-chlorothiophen-2-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105119690
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
The IUPAC name of 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol (CID 105090371) is 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol.
What is the SMILES notation for 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
The canonical SMILES for 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol is OC(CC1CCCC1)C1CCCc2sccc21.
What is the InChIKey of 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
The InChIKey is XDYUBVIMSGNRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c16-14(10-11-4-1-2-5-11)12-6-3-7-15-13(12)8-9-17-15/h8-9,11-12,14,16H,1-7,10H2.
What are the key properties of 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol?
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol has a molecular weight of 250.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol is sourced from PubChem (CID 105090371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).