4-Phenyldodecane
PubChem CID: 17631
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Phenyldodecane, 2719-64-4, Benzene, (1-propylnonyl)-, dodecan-4-ylbenzene, Dodecane, 4-phenyl-, (1-PROPYLNONYL)BENZENE, (Dodecan-4-yl)benzene, EINECS 220-327-4, Benzene, (1propylnonyl), (1-Propylnonyl)benzene #, DTXSID10875105, NS00048876, 220-327-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCcccccc6))))))CCCCCCCC |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecan-4-ylbenzene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 7.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H30 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHDHXBLZBVAPTL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.94 |
| Rotatable Bond Count | 10.0 |
| Logd | 5.312 |
| Synonyms | 4-phenyl dodecane |
| Esol Class | Poorly soluble |
| Compound Name | 4-Phenyldodecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 246.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.038682266666667 |
| Inchi | InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3 |
| Smiles | CCCCCCCCC(CCC)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1608 - 2. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all