5-[14-(3,5-Dihydroxy-4-methylphenyl)tetradecyl]-2-methylbenzene-1,3-diol
PubChem CID: 10972272
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| Compound Synonyms | SCHEMBL8400534 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 404.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[14-(3,5-dihydroxy-4-methylphenyl)tetradecyl]-2-methylbenzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 9.9 |
| Molecular Formula | C28H42O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMQFDTRLWGYIOI-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -2.592 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.633 |
| Compound Name | 5-[14-(3,5-Dihydroxy-4-methylphenyl)tetradecyl]-2-methylbenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 442.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.308 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 442.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.140368 |
| Inchi | InChI=1S/C28H42O4/c1-21-25(29)17-23(18-26(21)30)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-19-27(31)22(2)28(32)20-24/h17-20,29-32H,3-16H2,1-2H3 |
| Smiles | CC1=C(C=C(C=C1O)CCCCCCCCCCCCCCC2=CC(=C(C(=C2)O)C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Passiflora Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients