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

C14H16OS — CID 114910840

IUPAC1-(1-benzothiophen-2-yl)-1-cyclobutylethanol
SMILESCC(O)(c1cc2ccccc2s1)C1CCC1
InChIInChI=1S/C14H16OS/c1-14(15,11-6-4-7-11)13-9-10-5-2-3-8-12(10)16-13/h2-3,5,8-9,11,15H,4,6-7H2,1H3
InChIKeyYVNNVMQSGKGJNY-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.91
Rot. Bonds2

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

1-(1-benzothiophen-2-yl)-1-cyclobutylethanol (PubChem CID 114910840) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-cyclobutylethanol
PubChem CID114910840
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(1-benzothiophen-2-yl)-1-cyclobutylethanol
SMILESCC(O)(c1cc2ccccc2s1)C1CCC1
InChIInChI=1S/C14H16OS/c1-14(15,11-6-4-7-11)13-9-10-5-2-3-8-12(10)16-13/h2-3,5,8-9,11,15H,4,6-7H2,1H3
InChIKeyYVNNVMQSGKGJNY-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol (CID 114910840) is 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol is CC(O)(c1cc2ccccc2s1)C1CCC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol?
The InChIKey is YVNNVMQSGKGJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-14(15,11-6-4-7-11)13-9-10-5-2-3-8-12(10)16-13/h2-3,5,8-9,11,15H,4,6-7H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-cyclobutylethanol?
1-(1-benzothiophen-2-yl)-1-cyclobutylethanol has a molecular weight of 232.35 g/mol, XLogP of 3.91, 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-cyclobutylethanol is sourced from PubChem (CID 114910840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).