1,1-Diphenylethane
PubChem CID: 11918
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,1-DIPHENYLETHANE, 612-00-0, 1-phenylethylbenzene, (Phenylethyl)benzene, Benzene, 1,1'-ethylidenebis-, Ethane, 1,1-diphenyl-, (1-Phenylethyl)benzene, 38888-98-1, Benzene, (phenylethyl)-, DIPHENYLETHANE, 9813FDC9QO, 1,1-diphenyl-ethane, NSC 33534, NSC-33534, AI3-04341, DTXSID6041218, 1,1'-ethane-1,1-diyldibenzene, EINECS 254-179-7, 1,1'-ETHYLIDENEBIS(BENZENE), EC 254-179-7, 1,1'-Ethylidenebis[benzene], 1,1-Diphenylethane, NSC 33534, Pabsol 300, Ethane,1-diphenyl-, 1,1'-Diphenylethane, methyl diphenyl methane, (1-Phenylethyl)benzene #, 1,1'-Ethylidenebisbenzene, 1,1-Diphenylethane, as-, Benzene,1'-ethylidenebis-, UNII-9813FDC9QO, 1, as-, DTXCID4021218, Ethane, 1,1-diphenyl-(8CI), WLZ3156, NSC33534, MFCD00055631, AKOS006272949, BS-53215, NS00007861, F72450, A833094, Q9545624, 254-179-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Deep Smiles | CCcccccc6))))))cccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCCC2)CC1 |
| Classyfire Subclass | Diphenylmethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenylethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H14 |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccccc2)cc1 |
| Inchi Key | BSZXAFXFTLXUFV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1,1-diphenyl-ethane |
| Esol Class | Soluble |
| Compound Name | 1,1-Diphenylethane |
| Exact Mass | 182.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 182.26 |
| Gi Absorption | False |
| 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/C14H14/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3 |
| Smiles | CC(C1=CC=CC=C1)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279