(But-3-en-2-yl)benzene
PubChem CID: 275617
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| Compound Synonyms | But-3-en-2-ylbenzene, 3-phenyl-1-butene, (But-3-en-2-yl)benzene, 934-10-1, NSC122566, 3-Phenylbut-1-ene, (1-methyl-2-propenyl)benzene, 1-Methyl-2-propenyl)-benzene, CHPXLAPHLQIKCA-UHFFFAOYSA-, DTXSID80298327, NSC-122566, EN300-1862036, InChI=1/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C=CCcccccc6))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 98.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | but-3-en-2-ylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | CHPXLAPHLQIKCA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-methyl-2(prop-2-enyl) benzene, 1-methyl-2(prop-2-enyl)benzene |
| Esol Class | Soluble |
| Functional Groups | C=CC |
| Compound Name | (But-3-en-2-yl)benzene |
| Exact Mass | 132.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 132.2 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3 |
| Smiles | CC(C=C)C1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1400405