1-(1-benzothiophen-2-yl)-2-cyclobutylethanol

C14H16OS — CID 115802429

IUPAC1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C14H16OS/c15-12(8-10-4-3-5-10)14-9-11-6-1-2-7-13(11)16-14/h1-2,6-7,9-10,12,15H,3-5,8H2
InChIKeyOFMLILRTUMYZBJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.12
Rot. Bonds3

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

1-(1-benzothiophen-2-yl)-2-cyclobutylethanol (PubChem CID 115802429) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
PubChem CID115802429
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C14H16OS/c15-12(8-10-4-3-5-10)14-9-11-6-1-2-7-13(11)16-14/h1-2,6-7,9-10,12,15H,3-5,8H2
InChIKeyOFMLILRTUMYZBJ-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-ol
CID 143223012
[1-(1-benzothiophen-2-yl)-2-cyclopentylethyl]hydrazine
CID 105299057
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
1-(1-benzothiophen-2-yl)-2-bromoethanol
CID 130171136
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
1-(1-benzothiophen-2-yl)hex-5-en-1-ol
CID 115804316
1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803448
2-[chloro(cyclohexyl)methyl]-1-benzothiophene
CID 66778612

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol (CID 115802429) is 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol is OC(CC1CCC1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol?
The InChIKey is OFMLILRTUMYZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c15-12(8-10-4-3-5-10)14-9-11-6-1-2-7-13(11)16-14/h1-2,6-7,9-10,12,15H,3-5,8H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-cyclobutylethanol?
1-(1-benzothiophen-2-yl)-2-cyclobutylethanol has a molecular weight of 232.35 g/mol, XLogP of 4.12, 3 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)-2-cyclobutylethanol is sourced from PubChem (CID 115802429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).