2,2'-Isobutylidene-bis(4,6-dimethylphenol)
PubChem CID: 94446
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| Compound Synonyms | Metaseol, 33145-10-7, Vulkanox NKF, Phenol, 2,2'-(2-methylpropylidene)bis(4,6-dimethyl-, 2,2'-Isobutylidenebis(4,6-dimethylphenol), EINECS 251-394-8, 2,2'-Isobutylidene-bis(4,6-dimethylphenol), 2,4-Xylenol, 6,6'-isobutylidenedi-, BRN 2148314, 2,2'-(2-Methylpropylidene)bis(4,6-dimethylphenol), 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol, Phenol, 2,2'-(2-methylpropylidene)bis[4,6-dimethyl-, DTXSID50865666, 3-06-00-05547 (Beilstein Handbook Reference), 63530-23-4, Phenol,2,2'-(2-methylpropylidene)bis[4,6-dimethyl-, IBBDP, 2,2'-(2-Methylpropylidene)bis(4,6-xylenol), SCHEMBL223172, DTXCID70814050, SZAQZZKNQILGPU-UHFFFAOYSA-N, 2-[1-(2-HYDROXY-3,5-DIMETHYL-PHENYL)-2-METHYL-PROPYL]-4,6-DIMETHYL-PHENOL, DB-292470, NS00059381, 2,2'-Isobutyliden-bis-(4,6-di-methylphenol), 2-[1-(2-Hydroxy-3,5-dimethyl-phenyl)-2-methyl-propyl ]-4,6-dimethyl-phenol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Deep Smiles | CcccC)ccc6)CcccC)ccc6O))C))))))CC)C))))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCCC2)CC1 |
| Classyfire Subclass | Diphenylmethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H26O2 |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccccc2)cc1 |
| Inchi Key | SZAQZZKNQILGPU-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | metaseol |
| Esol Class | Moderately soluble |
| Functional Groups | cO |
| Compound Name | 2,2'-Isobutylidene-bis(4,6-dimethylphenol) |
| Exact Mass | 298.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 298.4 |
| 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/C20H26O2/c1-11(2)18(16-9-12(3)7-14(5)19(16)21)17-10-13(4)8-15(6)20(17)22/h7-11,18,21-22H,1-6H3 |
| Smiles | CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C)C)C(C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Metasequoia Glyptostroboides (Plant) Rel Props:Reference:ISBN:9788185042145