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

C11H8OS — CID 119092619

IUPAC3-(1-benzothiophen-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cc2ccccc2s1
InChIInChI=1S/C11H8OS/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-2,4,6,8,12H,7H2
InChIKeyODOXAWIMJONPMH-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.25
Rot. Bonds

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

3-(1-benzothiophen-2-yl)prop-2-yn-1-ol (PubChem CID 119092619) has the molecular formula C11H8OS and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)prop-2-yn-1-ol
PubChem CID119092619
Molecular FormulaC11H8OS
Molecular Weight188.25 g/mol
Exact Mass188.03
IUPAC Name3-(1-benzothiophen-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cc2ccccc2s1
InChIInChI=1S/C11H8OS/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-2,4,6,8,12H,7H2
InChIKeyODOXAWIMJONPMH-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.25
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

4-(1-benzothiophen-2-yl)but-3-ynamide
CID 170473168
2,6-bis[2-(1-benzothiophen-2-yl)ethynyl]thieno[2,3-f][1]benzothiole
CID 58131911
4-[2-[5-[2-(1-benzothiophen-2-yl)ethynyl]thiophen-2-yl]ethynyl]phenol
CID 134106427
2-[2-(4-bromophenyl)ethynyl]-1-benzothiophene
CID 3808770
N-(1,3-benzothiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075092
3-(5-pyridin-2-ylthiophen-2-yl)prop-2-yn-1-ol
CID 22631010
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
3-(1-benzothiophen-2-yl)propan-1-ol;ethane
CID 143234864
3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 67007318
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
2-(fluoromethyl)-1-benzothiophene
CID 119085404
bis(1-benzothiophen-2-yl)methanone
CID 5330534

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol (CID 119092619) is 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol is OCC#Cc1cc2ccccc2s1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol?
The InChIKey is ODOXAWIMJONPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS/c12-7-3-5-10-8-9-4-1-2-6-11(9)13-10/h1-2,4,6,8,12H,7H2.
What are the key properties of 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol?
3-(1-benzothiophen-2-yl)prop-2-yn-1-ol has a molecular weight of 188.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 119092619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).