2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol

C18H18OS — CID 65150146

IUPAC2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
SMILESCCc1ccccc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C18H18OS/c1-2-13-7-3-4-8-15(13)17(19)11-14-12-20-18-10-6-5-9-16(14)18/h3-10,12,17,19H,2,11H2,1H3
InChIKeyIUTUJSOQOLAXRG-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.74
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol

2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol (PubChem CID 65150146) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
PubChem CID65150146
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
SMILESCCc1ccccc1C(O)Cc1csc2ccccc12
InChIInChI=1S/C18H18OS/c1-2-13-7-3-4-8-15(13)17(19)11-14-12-20-18-10-6-5-9-16(14)18/h3-10,12,17,19H,2,11H2,1H3
InChIKeyIUTUJSOQOLAXRG-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-amino-3-methoxyphenyl)-2-(1-benzothiophen-3-yl)ethanol
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CID 65150670
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CID 63739171
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol (CID 65150146) is 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol is CCc1ccccc1C(O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol?
The InChIKey is IUTUJSOQOLAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-2-13-7-3-4-8-15(13)17(19)11-14-12-20-18-10-6-5-9-16(14)18/h3-10,12,17,19H,2,11H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol?
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol has a molecular weight of 282.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol is sourced from PubChem (CID 65150146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).