4-Vinylanisole
PubChem CID: 12507
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| Compound Synonyms | 4-Methoxystyrene, 637-69-4, 1-Methoxy-4-vinylbenzene, 4-VINYLANISOLE, p-Methoxystyrene, 1-ethenyl-4-methoxybenzene, Benzene, 1-ethenyl-4-methoxy-, p-Vinylanisole, Anisole, p-vinyl-, NSC 42171, CCRIS 4381, EINECS 211-298-9, NSC 408326, AI3-05526, 2ISH8T4A6E, MFCD00008619, NSC-42171, NSC-408326, 1-methoxy-4-vinyl-benzene, 4-vinylanisol, p-methoxy-styrene, UNII-2ISH8T4A6E, para-methoxystyrene, pMethoxystyrene, pVinylanisole, 4methoxystyrene, Anisole, pvinyl, 4-vinyl anisole, 4-vinyl-anisole, 4-Vinylanisole, 97%, Anisole, pvinyl (8CI), Benzene, 1ethenyl4methoxy, Anisole, p-vinyl-(8CI), 1-ethenyl-4-methoxy-benzene, SCHEMBL28436, 1-Methoxy-4-vinylbenzene #, DTXSID7073222, SCHEMBL12113789, NSC42171, NSC408326, AKOS009156585, CL-0053, CS-W013377, FM11562, 4-Methoxystyrene (stabilized with TBC), SY012921, M0130, NS00022602, EN300-60992, D71253, Q27254796, Z957339658, 4-Methoxystyrene - stabilized with 0.1% 4-tert-butylcatechol, InChI=1/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H, 211-298-9 |
|---|---|
| Ghose Rule | False |
| 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 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | COcccccc6))C=C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenol ethers |
| Description | Flavouring compound [Flavornet] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenyl-4-methoxybenzene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAJRSHJHFRVGMG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.111 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.744 |
| Synonyms | 4-methoxystyrene, 4-vinylanisole, p-methoxystyrene, para-vinylanisole |
| Esol Class | Soluble |
| Functional Groups | cC=C, cOC |
| Compound Name | 4-Vinylanisole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 134.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.9180035999999996 |
| Inchi | InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3 |
| Smiles | COC1=CC=C(C=C1)C=C |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1425640 - 7. Outgoing r'ship
FOUND_INto/from Oldenlandia Diffusa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698580 - 8. Outgoing r'ship
FOUND_INto/from Strychnos Ignatii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all