1-(1-benzothiophen-3-yl)prop-2-yn-1-ol

C11H8OS — CID 64914371

IUPAC1-(1-benzothiophen-3-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1csc2ccccc12
InChIInChI=1S/C11H8OS/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h1,3-7,10,12H
InChIKeyJNHKTSICGOIIQY-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.57
Rot. Bonds1

About 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol

1-(1-benzothiophen-3-yl)prop-2-yn-1-ol (PubChem CID 64914371) has the molecular formula C11H8OS and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)prop-2-yn-1-ol
PubChem CID64914371
Molecular FormulaC11H8OS
Molecular Weight188.25 g/mol
Exact Mass188.03
IUPAC Name1-(1-benzothiophen-3-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1csc2ccccc12
InChIInChI=1S/C11H8OS/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h1,3-7,10,12H
InChIKeyJNHKTSICGOIIQY-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzothiophen-3-yl)-2-hydroxyacetonitrile
CID 62699836
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
3-(dibromomethyl)-1-benzothiophene
CID 175195145
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
CID 104995348
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688
3-(1-benzothiophen-3-yl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79136552
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol (CID 64914371) is 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol is C#CC(O)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol?
The InChIKey is JNHKTSICGOIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h1,3-7,10,12H.
What are the key properties of 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol?
1-(1-benzothiophen-3-yl)prop-2-yn-1-ol has a molecular weight of 188.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)prop-2-yn-1-ol is sourced from PubChem (CID 64914371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).