2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol

C14H18OS — CID 105100901

IUPAC2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOC(CC1CCC1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18OS/c15-12(8-10-4-3-5-10)14-9-11-6-1-2-7-13(11)16-14/h1-2,6-7,10,12,14-15H,3-5,8-9H2
InChIKeyKMSKSJKIBCTHJA-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.25
Rot. Bonds3

About 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol

2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (PubChem CID 105100901) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
PubChem CID105100901
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOC(CC1CCC1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18OS/c15-12(8-10-4-3-5-10)14-9-11-6-1-2-7-13(11)16-14/h1-2,6-7,10,12,14-15H,3-5,8-9H2
InChIKeyKMSKSJKIBCTHJA-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)pent-4-yn-1-ol
CID 105098639
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
CID 105108065
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol
CID 105104857
[2,3-dihydro-1-benzothiophen-2-yl-(3-ethylcyclohexyl)methyl]hydrazine
CID 105313707
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-2-ylethanol
CID 105106044
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089082
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105089674
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylcyclohexyl)methanol
CID 105103129
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105115717
(3-cyclobutylphenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132379

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (CID 105100901) is 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is OC(CC1CCC1)C1Cc2ccccc2S1.
What is the InChIKey of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is KMSKSJKIBCTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c15-12(8-10-4-3-5-10)14-9-11-6-1-2-7-13(11)16-14/h1-2,6-7,10,12,14-15H,3-5,8-9H2.
What are the key properties of 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 234.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105100901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).