Benzene, (1,2-dimethoxyethyl)-
PubChem CID: 578105
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| Compound Synonyms | Benzene, (1,2-dimethoxyethyl)-, 1,2-dimethoxyethylbenzene, 4013-37-0, 1-Phenyl-1,2-dimethoxyethane, 1,2-Dimethoxy-1-phenylethane, alpha,beta-Dimethoxyphenylethane, SCHEMBL8095037, (1,2-Dimethoxyethyl)benzene #, DTXSID50342043, MCZSDTLZJNZORX-UHFFFAOYSA-N, Ethane, 1,2-dimethoxy-1-phenyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COCcccccc6))))))COC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzylethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dimethoxyethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | MCZSDTLZJNZORX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1,2-dimethoxy ethylbenzene |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | Benzene, (1,2-dimethoxyethyl)- |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| 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/C10H14O2/c1-11-8-10(12-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3 |
| Smiles | COCC(C1=CC=CC=C1)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699491