(5'-(But-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)methanol
PubChem CID: 24066914
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| Compound Synonyms | (5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)methanol, MEGxp0_001828, CHEBI:193289, DTXSID201225053, LMFA12000361, 1211-41-2, 5'-hydroxymethyl-5-(3-butene-1-ynyl)-2,2'-bithiophene, [5-(5-but-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methanol, 5a(2)-(3-Buten-1-yn-1-yl)[2,2a(2)-bithiophene]-5-methanol |
|---|---|
| Topological Polar Surface Area | 76.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-(5-but-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C13H10OS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWMCNWKJRDTTBD-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -5.343 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.078 |
| Compound Name | (5'-(But-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.017 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.017 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 246.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.406907199999999 |
| Inchi | InChI=1S/C13H10OS2/c1-2-3-4-10-5-7-12(15-10)13-8-6-11(9-14)16-13/h2,5-8,14H,1,9H2 |
| Smiles | C=CC#CC1=CC=C(S1)C2=CC=C(S2)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Buphthalmum Salicifolium (Plant) Rel Props:Source_db:cmaup_ingredients