3-Methoxy-2-methyl-5-nonadecylphenol
PubChem CID: 86213870
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-2-methyl-5-nonadecylphenol |
| Prediction Hob | 0.0 |
| Xlogp | 11.9 |
| Molecular Formula | C27H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OPICXYKVYSNVBV-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -7.111 |
| Rotatable Bond Count | 19.0 |
| Logd | 5.118 |
| Compound Name | 3-Methoxy-2-methyl-5-nonadecylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 404.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.751413248275863 |
| Inchi | InChI=1S/C27H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24(2)27(23-25)29-3/h22-23,28H,4-21H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)OC)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Alboviolaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cayratia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients