Cyclohexanone, 2-[(4-methoxyphenyl)methylene]-
PubChem CID: 364010
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| Compound Synonyms | Cyclohexanone, 2-[(4-methoxyphenyl)methylene]-, 5765-29-7, SCHEMBL624586, DTXSID40327081, JURVLOCWPWGFIG-UHFFFAOYSA-N, 2-(p-Methoxybenzylidene)cyclohexanone, NCI60_009590, 2-(p-methoxyphenylmethylene)-cyclohexan-1-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1CC1CCCCC1 |
| Deep Smiles | COcccccc6))C=CCCCCC6=O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | OC1CCCCC1CC1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H16O2 |
| Scaffold Graph Node Bond Level | O=C1CCCCC1=Cc1ccccc1 |
| Inchi Key | JURVLOCWPWGFIG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-[(4-methoxyphenyl)methylene]-cyclohexanone |
| Esol Class | Soluble |
| Functional Groups | cC=C(C)C(C)=O, cOC |
| Compound Name | Cyclohexanone, 2-[(4-methoxyphenyl)methylene]- |
| Exact Mass | 216.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.27 |
| Gi Absorption | True |
| 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/C14H16O2/c1-16-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15/h6-10H,2-5H2,1H3 |
| Smiles | COC1=CC=C(C=C1)C=C2CCCCC2=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Reference:https://doi.org/10.5935/0103-5053.20130263