1,1-Diphenylpropane
PubChem CID: 73726
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| Compound Synonyms | 1,1-DIPHENYLPROPANE, 1530-03-6, Diphenylpropane, 1-phenylpropylbenzene, Benzene, 1,1'-propylidenebis-, 25167-94-6, EINECS 216-222-8, DTXSID10865187, (1-Phenylpropyl)benzene, Propane, 1,1-diphenyl-, EINECS 246-696-1, MFCD00041670, 3,3-diphenylpropane, propane-1,1-diyldibenzene, (1-Phenylpropyl)benzene #, DTXCID10813623, NS00045672, 216-222-8 |
|---|---|
| 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 | CCCcccccc6))))))cccccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCCC2)CC1 |
| Classyfire Subclass | Diphenylmethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenylpropylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H16 |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccccc2)cc1 |
| Inchi Key | BUZMJVBOGDBMGI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,1-diphenylpropane |
| Esol Class | Moderately soluble |
| Compound Name | 1,1-Diphenylpropane |
| Exact Mass | 196.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 196.29 |
| 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/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| Smiles | CCC(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 Plectranthus Glabratus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698226