1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol

C18H15NOS — CID 114910892

IUPAC1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol
SMILESCC(O)(c1ccc2[nH]ccc2c1)c1cc2ccccc2s1
InChIInChI=1S/C18H15NOS/c1-18(20,14-6-7-15-12(10-14)8-9-19-15)17-11-13-4-2-3-5-16(13)21-17/h2-11,19-20H,1H3
InChIKeyFYAZPJYPUKKCIB-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.64
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol

1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol (PubChem CID 114910892) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol
PubChem CID114910892
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol
SMILESCC(O)(c1ccc2[nH]ccc2c1)c1cc2ccccc2s1
InChIInChI=1S/C18H15NOS/c1-18(20,14-6-7-15-12(10-14)8-9-19-15)17-11-13-4-2-3-5-16(13)21-17/h2-11,19-20H,1H3
InChIKeyFYAZPJYPUKKCIB-UHFFFAOYSA-N
XLogP4.64
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol (CID 114910892) is 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol is CC(O)(c1ccc2[nH]ccc2c1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol?
The InChIKey is FYAZPJYPUKKCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-18(20,14-6-7-15-12(10-14)8-9-19-15)17-11-13-4-2-3-5-16(13)21-17/h2-11,19-20H,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol?
1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol has a molecular weight of 293.39 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol is sourced from PubChem (CID 114910892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).