6-Methyl-6-phenylfulvene
PubChem CID: 592822
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| Compound Synonyms | 6-Methyl-6-phenylfulvene, Benzene, [1-(2,4-cyclopentadien-1-ylidene)ethyl]-, 2320-32-3, 6-Methyl-6phenylfulvene, 1-cyclopenta-2,4-dien-1-ylideneethylbenzene, 6-Phenyl-6-methylfulvene, 6-methyl-6-phenyl-fulvene, [1-(2,4-Cyclopentadien-1-ylidene)ethyl]benzene #, Ethane, 1-(2,4-cyclopentadien-1-ylidene)-1-phenyl- |
|---|---|
| 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(CC2CCCC2)CC1 |
| Deep Smiles | C/C=C/C=CC=C/5)))))/cccccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCC2)CC1 |
| Classyfire Subclass | Phenylpropenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-cyclopenta-2,4-dien-1-ylideneethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H12 |
| Scaffold Graph Node Bond Level | C1=CC(=Cc2ccccc2)C=C1 |
| Inchi Key | MBNCGVQBXYMZSC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 6-methyl-6-phenylfulveneb |
| Esol Class | Soluble |
| Functional Groups | cC(C)=C1C=CC=C1 |
| Compound Name | 6-Methyl-6-phenylfulvene |
| Exact Mass | 168.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.23 |
| 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/C13H12/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-10H,1H3 |
| Smiles | CC(=C1C=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 Salvia Coccinea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060408