(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol

C13H10OS — CID 872569

IUPAC(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
SMILESO[C@@H](C#Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10,12,14H/t12-/m0/s1
InChIKeyJOYLAXKLSFKRDD-LBPRGKRZSA-N
MW214.29 g/mol
LogP2.83
Rot. Bonds1

About (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol

(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol (PubChem CID 872569) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
PubChem CID872569
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
SMILESO[C@@H](C#Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10,12,14H/t12-/m0/s1
InChIKeyJOYLAXKLSFKRDD-LBPRGKRZSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.83
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-2-ylbut-2-yn-1-ol
CID 10931628
(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine
CID 101481565
(1S,4R)-4-cyclopropyl-1-thiophen-2-ylpent-2-yne-1,4-diol
CID 751182
(1R,4S)-4-cyclopropyl-1-thiophen-2-ylpent-2-yne-1,4-diol
CID 751183
4-(1-hydroxy-3-phenylprop-2-ynyl)benzoic acid
CID 19705966
(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol
CID 130716301
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
1-(3-hydroxy-3-thiophen-2-ylprop-1-ynyl)cyclohexan-1-ol
CID 2898837
1-[2-(1-hydroxy-3-phenylprop-2-ynyl)-4,5-dimethoxyphenyl]-3-phenylprop-2-yn-1-ol
CID 102084118
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
(4-phenylthiophen-2-yl)-thiophen-2-ylmethanol
CID 16641209
1-cyclohexyl-3-phenylprop-2-yn-1-ol
CID 11042123

Frequently Asked Questions

What is the IUPAC name of (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol?
The IUPAC name of (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol (CID 872569) is (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol.
What is the SMILES notation for (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol?
The canonical SMILES for (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol is O[C@@H](C#Cc1ccccc1)c1cccs1.
What is the InChIKey of (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol?
The InChIKey is JOYLAXKLSFKRDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-7,10,12,14H/t12-/m0/s1.
What are the key properties of (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol?
(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol has a molecular weight of 214.29 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 872569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).