5-(12-Heptadecenyl)-resorcinol
PubChem CID: 442974
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| Compound Synonyms | 5-(12-heptadecenyl)-resorcinol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCCC=CCCCCCCCCCCCcccO)ccc6)O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzenediols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-heptadec-12-enylbenzene-1,3-diol |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 9.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H38O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | KDUIMXINOLVPCT-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | 1,5-(12-hepta decenyl)-resoreinol, 5-(12-heptadecenyl)-resorcinol |
| Esol Class | Poorly soluble |
| Functional Groups | CC=CC, cO |
| Compound Name | 5-(12-Heptadecenyl)-resorcinol |
| Exact Mass | 346.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 346.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3 |
| Smiles | CCCCC=CCCCCCCCCCCCC1=CC(=CC(=C1)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Aromatic polyketides |
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FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:ISBN:9788172362140