1,2,3,4-Tetramethylbenzene
PubChem CID: 10263
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| Compound Synonyms | 1,2,3,4-TETRAMETHYLBENZENE, 488-23-3, Prehnitene, Prehnitol, Benzene, 1,2,3,4-tetramethyl-, TETRAMETHYLBENZENE, UNII-96WT7D2WXJ, EINECS 207-673-1, MFCD00008521, NSC 93932, CCRIS 8659, CHEBI:38997, NSC-93932, 96WT7D2WXJ, 1,2,3,4-tetramethyl-benzene, DTXSID4060072, Benzene, tetramethyl-, Prehenitene, Tetramethylbenzenes, tetra-methyl benzene, 1,3,4-Tetramethylbenzene, UNII-5L4Y5PFP1R, 1,2,3,4tetramethylbenzene, 5L4Y5PFP1R, Benzene,2,3,4-tetramethyl-, Benzene, 1,2,3,4tetramethyl, 1,2,3,4-Tetramethylbenzene 100 microg/mL in Methanol, CHEMBL1797278, DTXCID3040645, Tetramethylbenzene (all isomers), BCP07046, NSC93932, 1,2,3,4-TETRAMETHLYBENZENE, 1,2,3,4-TRITRAMETHYLBENZENE, AKOS009031131, CS-W006416, DS-7452, HY-W006416, s10933, PD158244, SY261146, DB-018721, NS00021173, Q27118087, 207-673-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CccC)cccc6C))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.6 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,4-tetramethylbenzene |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.0 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOHMMEJUHBCKEE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 0.0 |
| Synonyms | Prehnitol, 1,2,3,4-tetramethylbenzene |
| Esol Class | Soluble |
| Compound Name | 1,2,3,4-Tetramethylbenzene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.6361764 |
| Inchi | InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3 |
| Smiles | CC1=C(C(=C(C=C1)C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Ceratophyllum Demersum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588 - 2. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477 - 3. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Vallisneria Spiralis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588