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

C18H24OS — CID 114910821

IUPAC1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol
SMILESCCC1CCCC(C(C)(O)c2cc3ccccc3s2)C1
InChIInChI=1S/C18H24OS/c1-3-13-7-6-9-15(11-13)18(2,19)17-12-14-8-4-5-10-16(14)20-17/h4-5,8,10,12-13,15,19H,3,6-7,9,11H2,1-2H3
InChIKeyPYDHXOULFBRALB-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.33
Rot. Bonds3

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

1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol (PubChem CID 114910821) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol
PubChem CID114910821
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol
SMILESCCC1CCCC(C(C)(O)c2cc3ccccc3s2)C1
InChIInChI=1S/C18H24OS/c1-3-13-7-6-9-15(11-13)18(2,19)17-12-14-8-4-5-10-16(14)20-17/h4-5,8,10,12-13,15,19H,3,6-7,9,11H2,1-2H3
InChIKeyPYDHXOULFBRALB-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.33
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-(3-ethylcyclohexyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol (CID 114910821) is 1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol is CCC1CCCC(C(C)(O)c2cc3ccccc3s2)C1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol?
The InChIKey is PYDHXOULFBRALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-3-13-7-6-9-15(11-13)18(2,19)17-12-14-8-4-5-10-16(14)20-17/h4-5,8,10,12-13,15,19H,3,6-7,9,11H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol?
1-(1-benzothiophen-2-yl)-1-(3-ethylcyclohexyl)ethanol has a molecular weight of 288.46 g/mol, XLogP of 5.33, 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)-1-(3-ethylcyclohexyl)ethanol is sourced from PubChem (CID 114910821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).