Tar acids, methylphenol fraction
PubChem CID: 21829806
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 84989-04-8, EINECS 284-892-9, EC 284-892-9, M-cresol, P-cresol, m,p-cresol, m-cresol p-cresol, p-cresol m-cresol, SCHEMBL5509205, DTXSID701029345, m-cresol compound with p-cresol (1:1), 284-892-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | Ccccccc6)O.Ccccccc6))O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Phenols |
| Classyfire Subclass | Cresols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylphenol, 4-methylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H16O2 |
| Inchi Key | PHVAHRJIUQBTHJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3-methylphenol, p-cresol+m-cresol |
| Esol Class | Moderately soluble |
| Functional Groups | cO |
| Compound Name | Tar acids, methylphenol fraction |
| Exact Mass | 216.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.27 |
| Gi Absorption | True |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/2C7H8O/c1-6-2-4-7(8)5-3-6, 1-6-3-2-4-7(8)5-6/h2*2-5,8H,1H3 |
| Smiles | CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112 - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492