Benzeneethanol-d5
PubChem CID: 11672668
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| Compound Synonyms | Benzeneethanol-d5, 35845-63-7, 2-PHENYL-D5-ETHANOL, Phenethyl Alcohol-d5, 2-(2,3,4,5,6-pentadeuteriophenyl)ethanol, 2-Phenylethanol-d5, PhenethylAlcohol-d5, DTXSID40470349, 2-(Phenyl-d5)ethan-1-ol, DTXCID70421167, HY-B1290S2, CS-21731, DB-314295, CS-0572636, D99601, 2-Phenyl-d5-ethanol, 98 atom % D, 98% (CP) |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 5.0 |
| Molecular Complexity | 65.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,3,4,5,6-pentadeuteriophenyl)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C8H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRMNZCZEMHIOCP-RALIUCGRSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.051 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.373 |
| Compound Name | Benzeneethanol-d5 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 127.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 127.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 127.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8467578884513332 |
| Inchi | InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i1D,2D,3D,4D,5D |
| Smiles | [2H]C1=C(C(=C(C(=C1[2H])[2H])CCO)[2H])[2H] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients