3,4-Dimethoxyphenol
PubChem CID: 16251
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,4-DIMETHOXYPHENOL, 2033-89-8, Phenol, 3,4-dimethoxy-, 3,4-Bis(methyloxy)phenol, UNII-38B43WCU83, 38B43WCU83, EINECS 217-995-4, MFCD00008390, NSC 140927, NSC-140927, DTXSID7062112, NSC140927, 3,4,dimethoxyphenol, Phenol,4-dimethoxy-, 3,4-dimethoxy phenol, 3,4-dimethoxy-phenol, 3, 4-dimethoxy phenol, 3 pound not4-dimethoxyphenol, 3,4-Dimethoxyphenol, 97%, SCHEMBL119396, 1-hydroxy-3,4-dimethoxybenzene, DTXCID5036262, CS-B1823, HY-N1780, STR06225, AKOS005146109, AC-3793, FD22207, PD158071, SY017636, TS-02054, DB-031011, D3221, NS00026588, EN300-91592, AE-508/42302277, Q27256773, Z1255434752, 217-995-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | COcccO)ccc6OC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dimethoxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | SMFFZOQLHYIRDA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3,4-dimethoxyphenol, phenol,3,4-dimethoxy |
| Esol Class | Very soluble |
| Functional Groups | cO, cOC |
| Compound Name | 3,4-Dimethoxyphenol |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| 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/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)O)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
- 1. Outgoing r'ship
FOUND_INto/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345 - 2. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Reference:ISBN:9788185042084