1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol

C14H16OS — CID 81142610

IUPAC1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol
SMILESCC1(C(C)(O)c2cccc3ccsc23)CC1
InChIInChI=1S/C14H16OS/c1-13(7-8-13)14(2,15)11-5-3-4-10-6-9-16-12(10)11/h3-6,9,15H,7-8H2,1-2H3
InChIKeyPUPLFDMBAXGCNT-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.91
Rot. Bonds2

About 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol

1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol (PubChem CID 81142610) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol
PubChem CID81142610
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol
SMILESCC1(C(C)(O)c2cccc3ccsc23)CC1
InChIInChI=1S/C14H16OS/c1-13(7-8-13)14(2,15)11-5-3-4-10-6-9-16-12(10)11/h3-6,9,15H,7-8H2,1-2H3
InChIKeyPUPLFDMBAXGCNT-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-7-yl)-1-(1-methylcyclopropyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol (CID 81142610) is 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol is CC1(C(C)(O)c2cccc3ccsc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol?
The InChIKey is PUPLFDMBAXGCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-13(7-8-13)14(2,15)11-5-3-4-10-6-9-16-12(10)11/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol?
1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol 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-7-yl)-1-(1-methylcyclopropyl)ethanol is sourced from PubChem (CID 81142610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).