2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(Z)-2-phenylethenyl]benzene-1,3-diol
PubChem CID: 137654096
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| Compound Synonyms | CHEMBL4095937 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 480.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(Z)-2-phenylethenyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C24H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPGQBVBJFQCVKA-CLEBYIFHSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.998 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.752 |
| Compound Name | 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(Z)-2-phenylethenyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 348.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -6.453951661538462 |
| Inchi | InChI=1S/C24H28O2/c1-18(2)8-7-9-19(3)12-15-22-23(25)16-21(17-24(22)26)14-13-20-10-5-4-6-11-20/h4-6,8,10-14,16-17,25-26H,7,9,15H2,1-3H3/b14-13-,19-12+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C\C2=CC=CC=C2)O)/C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amorpha Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients