1-Phenyl-1-dodecanone
PubChem CID: 74292
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| Compound Synonyms | Dodecanophenone, 1-Phenyldodecan-1-one, Laurophenone, 1674-38-0, 1-Dodecanone, 1-phenyl-, 1-Phenyl-1-dodecanone, Phenyl undecyl ketone, Phenyl n-undecyl ketone, n-Dodecanophenone, OX0ME0LZ5A, Undecyl phenyl ketone, NSC 4903, NSC-4903, EINECS 216-818-8, UNII-OX0ME0LZ5A, AI3-01173, N-UNDECYL PHENYL KETONE, DTXSID0061872, MFCD00008967, Dodecanophenone, 98%, 1-phenyl-dodecan-1-one, 1-Dodecanone,1-phenyl-, Maybridge1_003217, SCHEMBL2124997, DTXCID5035379, HMS550K05, NSC4903, AKOS006036148, AS-57951, DB-043700, CS-0204739, L0018, NS00025497, D95267, 216-818-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCCCCCCCCC=O)cccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenyldodecan-1-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 6.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H28O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DJNJZIFFCJTUDS-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | dodecanophenone |
| Esol Class | Moderately soluble |
| Functional Groups | cC(C)=O |
| Compound Name | 1-Phenyl-1-dodecanone |
| Exact Mass | 260.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 260.399 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3 |
| Smiles | CCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699407