5-[2-(4-Methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol
PubChem CID: 24796720
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Is Pains | False |
| Molecular Formula | C16H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JQTVIILJDOVJEP-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 5-[2-(4-Methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 258.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0137338210526305 |
| Inchi | InChI=1S/C16H18O3/c1-11-15(17)9-13(10-16(11)18)4-3-12-5-7-14(19-2)8-6-12/h5-10,17-18H,3-4H2,1-2H3 |
| Smiles | CC1=C(C=C(C=C1O)CCC2=CC=C(C=C2)OC)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