Benzene, 1-methoxy-4-(1-methyl-2-propenyl)-
PubChem CID: 590285
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| Compound Synonyms | Benzene, 1-methoxy-4-(1-methyl-2-propenyl)-, 18272-83-8, DTXSID60343526, 1-Methoxy-4-(1-methyl-2-propenyl)benzene, SCHEMBL18253186, DTXCID60294605, FAYVYPCDXDCHCL-UHFFFAOYSA-N, 1-Methoxy-4-(1-methyl-2-propenyl)benzene # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6))CC=C))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-but-3-en-2-yl-4-methoxybenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | FAYVYPCDXDCHCL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-methoxy-4-(1-methyl-2-propenyl)-benzene |
| Esol Class | Soluble |
| Functional Groups | C=CC, cOC |
| Compound Name | Benzene, 1-methoxy-4-(1-methyl-2-propenyl)- |
| Exact Mass | 162.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 162.23 |
| Gi Absorption | True |
| 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/C11H14O/c1-4-9(2)10-5-7-11(12-3)8-6-10/h4-9H,1H2,2-3H3 |
| Smiles | CC(C=C)C1=CC=C(C=C1)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699135