(1-Methoxyethyl)benzene
PubChem CID: 19913
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| Compound Synonyms | (1-METHOXYETHYL)BENZENE, 1-methoxyethylbenzene, 4013-34-7, 1-Methoxy-1-phenylethane, Benzene, (1-methoxyethyl)-, Ether, methyl .alpha.-methylbenzyl, 1-Phenylethyl methyl ether, Methyl .alpha.-phenethyl ether, .alpha.-Methylbenzyl methyl ether, DTXSID00873039, NSC37489, PhCH(OCH3)Me, 1-methoxy-ethyl-benzene, Methyl alpha-phenethyl ether, SCHEMBL57510, alpha-Methylbenzyl methyl ether, SCHEMBL7402392, Ether, methyl alpha-methylbenzyl, NSC-37489, HS-6588 |
|---|---|
| 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 |
| Deep Smiles | COCcccccc6))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzylethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxyethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | PLKSMSKTENNPEJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-methoxyethylbenzene |
| Esol Class | Soluble |
| Functional Groups | COC |
| Compound Name | (1-Methoxyethyl)benzene |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| 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/C9H12O/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| Smiles | CC(C1=CC=CC=C1)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Reference:ISBN:9788185042145