1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol

C14H16OS — CID 81141940

IUPAC1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol
SMILESCCC(O)(c1cccc2ccsc12)C1CC1
InChIInChI=1S/C14H16OS/c1-2-14(15,11-6-7-11)12-5-3-4-10-8-9-16-13(10)12/h3-5,8-9,11,15H,2,6-7H2,1H3
InChIKeyOJGTVZYOKNIQHA-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.91
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol

1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol (PubChem CID 81141940) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol
PubChem CID81141940
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol
SMILESCCC(O)(c1cccc2ccsc12)C1CC1
InChIInChI=1S/C14H16OS/c1-2-14(15,11-6-7-11)12-5-3-4-10-8-9-16-13(10)12/h3-5,8-9,11,15H,2,6-7H2,1H3
InChIKeyOJGTVZYOKNIQHA-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-cyclopropylpropan-1-ol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol (CID 81141940) is 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol is CCC(O)(c1cccc2ccsc12)C1CC1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol?
The InChIKey is OJGTVZYOKNIQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-2-14(15,11-6-7-11)12-5-3-4-10-8-9-16-13(10)12/h3-5,8-9,11,15H,2,6-7H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol?
1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol has a molecular weight of 232.35 g/mol, XLogP of 3.91, 3 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-cyclopropylpropan-1-ol is sourced from PubChem (CID 81141940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).