3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol

C11H14OS — CID 117284873

IUPAC3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol
SMILESOCCCc1cccc2c1SCC2
InChIInChI=1S/C11H14OS/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10/h1,3-4,12H,2,5-8H2
InChIKeyXSSCQCRLKGZYLY-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.26
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol

3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol (PubChem CID 117284873) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol
PubChem CID117284873
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol
SMILESOCCCc1cccc2c1SCC2
InChIInChI=1S/C11H14OS/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10/h1,3-4,12H,2,5-8H2
InChIKeyXSSCQCRLKGZYLY-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4-dihydro-2H-thiochromen-8-ylmethanesulfonyl chloride
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3-(2,3-difluorophenyl)propan-1-ol
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4-(3,4-dihydro-2H-thiochromen-8-ylmethyl)piperidine
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CID 141399667
2-ethyl-3-(3-hydroxypropyl)phenol
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol (CID 117284873) is 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol is OCCCc1cccc2c1SCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol?
The InChIKey is XSSCQCRLKGZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10/h1,3-4,12H,2,5-8H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol?
3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-7-yl)propan-1-ol is sourced from PubChem (CID 117284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).