(1R)-1-thiophen-3-ylprop-2-yn-1-ol

C7H6OS — CID 129365776

IUPAC(1R)-1-thiophen-3-ylprop-2-yn-1-ol
SMILESC#C[C@@H](O)c1ccsc1
InChIInChI=1S/C7H6OS/c1-2-7(8)6-3-4-9-5-6/h1,3-5,7-8H/t7-/m1/s1
InChIKeyVXSDJUAZYPBCKL-SSDOTTSWSA-N
MW138.19 g/mol
LogP1.41
Rot. Bonds1

About (1R)-1-thiophen-3-ylprop-2-yn-1-ol

(1R)-1-thiophen-3-ylprop-2-yn-1-ol (PubChem CID 129365776) has the molecular formula C7H6OS and a molecular weight of 138.19 g/mol. Its IUPAC name is (1R)-1-thiophen-3-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-thiophen-3-ylprop-2-yn-1-ol
PubChem CID129365776
Molecular FormulaC7H6OS
Molecular Weight138.19 g/mol
Exact Mass138.01
IUPAC Name(1R)-1-thiophen-3-ylprop-2-yn-1-ol
SMILESC#C[C@@H](O)c1ccsc1
InChIInChI=1S/C7H6OS/c1-2-7(8)6-3-4-9-5-6/h1,3-5,7-8H/t7-/m1/s1
InChIKeyVXSDJUAZYPBCKL-SSDOTTSWSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.41
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

1-thiophen-3-ylbut-2-yn-1-ol
CID 130174336
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
3-pent-4-yn-2-ylthiophene
CID 83927679
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
2-thiophen-3-ylpent-4-ynamide
CID 3056615
2-[hydroxy(thiophen-3-yl)methyl]prop-2-enenitrile
CID 43186380
1-chloro-1-thiophen-3-ylpropan-2-ol
CID 174465354
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572

Frequently Asked Questions

What is the IUPAC name of (1R)-1-thiophen-3-ylprop-2-yn-1-ol?
The IUPAC name of (1R)-1-thiophen-3-ylprop-2-yn-1-ol (CID 129365776) is (1R)-1-thiophen-3-ylprop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-thiophen-3-ylprop-2-yn-1-ol?
The canonical SMILES for (1R)-1-thiophen-3-ylprop-2-yn-1-ol is C#C[C@@H](O)c1ccsc1.
What is the InChIKey of (1R)-1-thiophen-3-ylprop-2-yn-1-ol?
The InChIKey is VXSDJUAZYPBCKL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H6OS/c1-2-7(8)6-3-4-9-5-6/h1,3-5,7-8H/t7-/m1/s1.
What are the key properties of (1R)-1-thiophen-3-ylprop-2-yn-1-ol?
(1R)-1-thiophen-3-ylprop-2-yn-1-ol has a molecular weight of 138.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-thiophen-3-ylprop-2-yn-1-ol is sourced from PubChem (CID 129365776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).