2-Ethyl-5-(2-phenylethyl)benzene-1,3-diol
PubChem CID: 77844281
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-5-(2-phenylethyl)benzene-1,3-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C16H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLSUJQMKFBFKGY-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2-Ethyl-5-(2-phenylethyl)benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 242.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.230304933333333 |
| Inchi | InChI=1S/C16H18O2/c1-2-14-15(17)10-13(11-16(14)18)9-8-12-6-4-3-5-7-12/h3-7,10-11,17-18H,2,8-9H2,1H3 |
| Smiles | CCC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients