3-(1-benzothiophen-6-yl)pentan-3-ol

C13H16OS — CID 58731340

IUPAC3-(1-benzothiophen-6-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc2ccsc2c1
InChIInChI=1S/C13H16OS/c1-3-13(14,4-2)11-6-5-10-7-8-15-12(10)9-11/h5-9,14H,3-4H2,1-2H3
InChIKeyFWLWYHOQPNOTMQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.91
Rot. Bonds3

About 3-(1-benzothiophen-6-yl)pentan-3-ol

3-(1-benzothiophen-6-yl)pentan-3-ol (PubChem CID 58731340) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(1-benzothiophen-6-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-benzothiophen-6-yl)pentan-3-ol
PubChem CID58731340
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name3-(1-benzothiophen-6-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc2ccsc2c1
InChIInChI=1S/C13H16OS/c1-3-13(14,4-2)11-6-5-10-7-8-15-12(10)9-11/h5-9,14H,3-4H2,1-2H3
InChIKeyFWLWYHOQPNOTMQ-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-6-yl)pentan-3-ol?
The IUPAC name of 3-(1-benzothiophen-6-yl)pentan-3-ol (CID 58731340) is 3-(1-benzothiophen-6-yl)pentan-3-ol.
What is the SMILES notation for 3-(1-benzothiophen-6-yl)pentan-3-ol?
The canonical SMILES for 3-(1-benzothiophen-6-yl)pentan-3-ol is CCC(O)(CC)c1ccc2ccsc2c1.
What is the InChIKey of 3-(1-benzothiophen-6-yl)pentan-3-ol?
The InChIKey is FWLWYHOQPNOTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-3-13(14,4-2)11-6-5-10-7-8-15-12(10)9-11/h5-9,14H,3-4H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-6-yl)pentan-3-ol?
3-(1-benzothiophen-6-yl)pentan-3-ol has a molecular weight of 220.34 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 3-(1-benzothiophen-6-yl)pentan-3-ol is sourced from PubChem (CID 58731340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).