p-(Dimethoxymethyl)anisole
PubChem CID: 75140
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2186-92-7, 1-(Dimethoxymethyl)-4-methoxybenzene, p-Anisaldehyde dimethyl acetal, Anisaldehyde dimethyl acetal, 4-Methoxybenzaldehyde dimethyl acetal, p-(Dimethoxymethyl)anisole, Benzene, 1-(dimethoxymethyl)-4-methoxy-, Anisicaldehyde dimethylacetal, p-anisaldehyde dimethylacetal, XTE77A5ET4, p-methoxybenzaldehyde dimethyl acetal, MFCD00036507, alpha,alpha,4-Trimethoxytoluene, DTXSID3062239, 4-Methoxybenzaldehyddimethylacetal, dimethoxy(4-methoxyphenyl)methane, 4-ANISALDEHYDDIMETHYLACETAL, EINECS 218-577-4, 4-ANISALDEHYDE DIMETHYL ACETAL, ANISIC ALDEHYDE DIMETHYL ACETAL, P-ANISALDEHYDE, DIMETHYL ACETAL, (P-METHOXYPHENYL)DIMETHOXYMETHANE, EC 218-577-4, TOLUENE, P,.ALPHA.,.ALPHA.-TRIMETHOXY-, P-ANISALDEHYDEDIMETHYLACETAL, a,a,4-Trimethoxytoluene, anisaldehyde-dimethylacetal, Dimethylacetal anisaldehyde, UNII-XTE77A5ET4, SCHEMBL192165, DTXCID9036565, para-anisaldehyde dimethyl acetal, 4-methoxybenzaldehyde dimethylacetal, ALBB-033139, CS-M1998, AKOS009031188, FA55064, 1-(Dimethoxymethyl)-4-methoxybenzene #, AS-49359, SY012039, TOLUENE, P,ALPHA,ALPHA-TRIMETHOXY-, A1247, NS00007837, EN300-20830, Anisaldehyde dimethyl acetal, >=98.5% (GC), H11271, Q27293986, 1-(dimethoxymethyl)-4-methoxybenzene, 4-Anisaldehyde dimethylacetal, 218-577-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6))COC))OC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzylethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(dimethoxymethyl)-4-methoxybenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | anisaldehyde dimethyl acetal, p-anisaldehyde,dimethyl acetal |
| Esol Class | Soluble |
| Functional Groups | cC(OC)OC, cOC |
| Compound Name | p-(Dimethoxymethyl)anisole |
| Exact Mass | 182.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 182.22 |
| 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 |
| Inchi | InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C(OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.963167 - 2. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700120 - 3. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700120