4-[2-(3-Hydroxy-5-methylphenyl)ethenyl]-2-methoxyphenol
PubChem CID: 53399171
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 | 302.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(3-hydroxy-5-methylphenyl)ethenyl]-2-methoxyphenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFQIOFUUQUYVPY-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 4-[2-(3-Hydroxy-5-methylphenyl)ethenyl]-2-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.413734621052631 |
| Inchi | InChI=1S/C16H16O3/c1-11-7-13(9-14(17)8-11)4-3-12-5-6-15(18)16(10-12)19-2/h3-10,17-18H,1-2H3 |
| Smiles | CC1=CC(=CC(=C1)O)C=CC2=CC(=C(C=C2)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alternanthera Philoxeroides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients