1-thiophen-3-ylbut-2-yn-1-ol

C8H8OS — CID 130174336

IUPAC1-thiophen-3-ylbut-2-yn-1-ol
SMILESCC#CC(O)c1ccsc1
InChIInChI=1S/C8H8OS/c1-2-3-8(9)7-4-5-10-6-7/h4-6,8-9H,1H3
InChIKeyHZGHFYDWGQWHDJ-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.80
Rot. Bonds1

About 1-thiophen-3-ylbut-2-yn-1-ol

1-thiophen-3-ylbut-2-yn-1-ol (PubChem CID 130174336) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 1-thiophen-3-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name1-thiophen-3-ylbut-2-yn-1-ol
PubChem CID130174336
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name1-thiophen-3-ylbut-2-yn-1-ol
SMILESCC#CC(O)c1ccsc1
InChIInChI=1S/C8H8OS/c1-2-3-8(9)7-4-5-10-6-7/h4-6,8-9H,1H3
InChIKeyHZGHFYDWGQWHDJ-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.80
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

(1R)-1-thiophen-3-ylprop-2-yn-1-ol
CID 129365776
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
1-chloro-1-thiophen-3-ylpropan-2-ol
CID 174465354
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol
CID 105102674
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylbut-2-yn-1-ol?
The IUPAC name of 1-thiophen-3-ylbut-2-yn-1-ol (CID 130174336) is 1-thiophen-3-ylbut-2-yn-1-ol.
What is the SMILES notation for 1-thiophen-3-ylbut-2-yn-1-ol?
The canonical SMILES for 1-thiophen-3-ylbut-2-yn-1-ol is CC#CC(O)c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylbut-2-yn-1-ol?
The InChIKey is HZGHFYDWGQWHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-2-3-8(9)7-4-5-10-6-7/h4-6,8-9H,1H3.
What are the key properties of 1-thiophen-3-ylbut-2-yn-1-ol?
1-thiophen-3-ylbut-2-yn-1-ol has a molecular weight of 152.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylbut-2-yn-1-ol is sourced from PubChem (CID 130174336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).