1-Phenyl-2-propyn-1-ol
PubChem CID: 20155
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| Compound Synonyms | 1-Phenyl-2-propyn-1-ol, 4187-87-5, 1-Phenylprop-2-yn-1-ol, 1-Phenylpropargyl alcohol, Ethynylphenylcarbinol, Phenylethynylcarbinol, 2-Propyn-1-ol, 1-phenyl-, Benzyl alcohol, .alpha.-ethynyl-, Benzenemethanol, .alpha.-ethynyl-, NSC 4326, phenylpropargyl alcohol, MFCD00021860, 1-Phenyl-2-propyne-1-ol, .alpha.-Ethynylbenzyl alcohol, .alpha.-Phenylpropargyl alcohol, alpha-Ethynylbenzyl alcohol, alpha-Ethynylbenzenemethanol, alpha-Phenylpropargyl alcohol, 1-Phenyl-prop-2-yn-1-ol, EINECS 224-064-6, AI3-24430, Benzenemethanol, alpha-ethynyl-, MFCD00210083, MFCD00210084, 1-Phenyl-2-propyn-1-ol, 98%, BENZYL ALCOHOL, alpha-ETHYNYL-, SCHEMBL77244, 3-hydroxy-3-phenyl-1-propyne, alpha-(Ethynyl)-benzenemethanol, CHEMBL2323854, DTXSID10871061, NSC4326, BENZENEMETHANOL, ?-ETHYNYL-, NSC-4326, AC1347, AKOS009157774, CS-W013411, DS-6255, SB44754, SY008625, SY008626, SY008627, DB-072935, DB-073516, NS00048255, P0220, EN300-199599, F0001-1173, InChI=1/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenylprop-2-yn-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Is Pains | False |
| Molecular Formula | C9H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIGLAZDLBZDVBL-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 1-Phenyl-2-propyn-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 132.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 132.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8753043999999999 |
| Inchi | InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H |
| Smiles | C#CC(C1=CC=CC=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients