3-Phenyl-2-propyn-1-ol
PubChem CID: 123115
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| Compound Synonyms | 3-Phenyl-2-propyn-1-ol, 1504-58-1, 3-phenylprop-2-yn-1-ol, 2-Propyn-1-ol, 3-phenyl-, 3-phenyl-prop-2-yn-1-ol, 1-Hydroxymethyl-2-phenylacetylene, 3-Phenylpropargyl Alcohol, MFCD00040914, 1-Phenyl-1-propyn-3-ol, DTXSID1074543, 3-phenyl-2-propyn1-ol, 1-(phenyl)-propyn-3-ol, 3-phenyl-2-propin-1-ol, (Hydroxymethyl)phenylacetylene, SCHEMBL487492, 1-Hydroxy-3-phenyl-2-propyne, 1-Phenyl-3-hydroxyprop-1-yne, DTXCID8034877, 3-Phenyl-2-propyn-1-ol, 96%, (3-Hydroxy-1-propyn-1-yl)benzene, STL373382, AKOS005216158, CS-W007420, AS-17320, SY010793, DB-017240, P1147, EN300-39012, O11048, InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H, 604-740-0 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenylprop-2-yn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C9H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NITUNGCLDSFVDL-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -1.786 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.253 |
| Compound Name | 3-Phenyl-2-propyn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 132.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0043043999999997 |
| Inchi | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2 |
| Smiles | C1=CC=C(C=C1)C#CCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients