2,4-dimethoxy-6-[(E)-pentadec-10-enyl]phenol
PubChem CID: 10316609
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| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethoxy-6-[(E)-pentadec-10-enyl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 8.4 |
| Molecular Formula | C23H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GBCXPDPXQWPCTG-BQYQJAHWSA-N |
| Fcsp3 | 0.6521739130434783 |
| Logs | -5.956 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.897 |
| Compound Name | 2,4-dimethoxy-6-[(E)-pentadec-10-enyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 362.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 362.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.566904030769232 |
| Inchi | InChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3/b8-7+ |
| Smiles | CCCC/C=C/CCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Domestica (Plant) Rel Props:Source_db:cmaup_ingredients