1-Isopropenyl-2-methoxybenzene
PubChem CID: 517803
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| Compound Synonyms | 1-Methoxy-2-(prop-1-en-2-yl)benzene, 10278-02-1, 1-Isopropenyl-2-methoxybenzene, Benzene, 1-methoxy-2-(1-methylethenyl)-, o-isopropenylanisole, 1-methoxy-2-prop-1-en-2-ylbenzene, o-Methoxy-I+/--methylstyrol, SCHEMBL1433789, 1-Isopropenyl-2-methoxybenzene #, MERMDWYLTGRJPN-UHFFFAOYSA-N, MFCD00048113, AKOS013993323, G69826 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-2-prop-1-en-2-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C10H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MERMDWYLTGRJPN-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.226 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.95 |
| Compound Name | 1-Isopropenyl-2-methoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 148.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4056073636363635 |
| Inchi | InChI=1S/C10H12O/c1-8(2)9-6-4-5-7-10(9)11-3/h4-7H,1H2,2-3H3 |
| Smiles | CC(=C)C1=CC=CC=C1OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients