3,5-Di-tert-butyl-4-hydroxybenzaldehyde
PubChem CID: 73219
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,5-Di-tert-butyl-4-hydroxybenzaldehyde, 1620-98-0, Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3,5-ditert-butyl-4-hydroxybenzaldehyde, 3,5-Di-t-butyl-4-hydroxybenzaldehyde, Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, MFCD00008826, UNII-95VTI93VUL, EINECS 216-592-0, 95VTI93VUL, NSC 14450, BRN 0982526, DTXSID7057658, 4-Formyl-2,6-di-tert-butylphenol, 2,6-Di-tert-Butyl-4-formylphenol, NSC-14450, 4-Hydroxy-3,5-di-tert-butylbenzaldehyde, DTXCID8031447, 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde, 4-08-00-00601 (Beilstein Handbook Reference), Benzaldehyde, 4-hydroxy-3,5-di-tert-butyl, Benzoic aldehyde, 3,5-di-t-butyl-4-hydroxy-, 3-TERT-BUTYL-2-HYDROXY-.BETA.,.BETA.,5-TRIMETHYLBENZENEETHYL-.BETA.-D-GLUCOSIDURONATE, 3,5-bis(tert-butyl)-4-hydroxybenzaldehyde, BHT-CHO, 3,5-ditert-Butyl-4-hydroxy-benzaldehyde, 3,5-Di-tert-butyl-4-hydroxy-benzaldehyde, NSC14450, 3,5-di(Tert-butyl)-4-hydroxybenzaldehyde, 3,5-Di-tert-Butyl-4-hydroxybenzylaldehyde, SCHEMBL85764, CHEMBL225623, SCHEMBL22930710, CHEBI:170060, MAADFVPSLRWBIA-UHFFFAOYSA-N, BCP04892, Tox21_113770, 3,5-di-t-butyl4-hydroxybenzaldehyde, BBL010515, STK397393, AKOS000113376, CS-W012903, FD36840, MS-3676, 3,5,-di-t-butyl-4-hydroxybenzaldehyde, 3,5-Di-t-butyl-4-hydroxy benzaldehyde, 3,5-ditert.butyl-4-hydroxybenzaldehyde, 3,5-di tert.butyl-4-hydroxybenzaldehyde, 3,5-di-tert-butyl 4-hydroxybenzaldehyde, 3,5-di-tert.butyl-4-hydroxybenzaldehyde, Benzaldehyde,5-di-tert-butyl-4-hydroxy-, NCGC00253643-01, NCGC00253643-02, AC-10539, 3,5- di-tert-butyl-4-hydroxybenzaldehyde, 3,5-di-tert-butyl-4-hydrox-ybenzaldehyde, 3,5-di-tert.-butyl-4-hydroxybenzaldehyde, 3,5-di-tert.butyl-4-hydroxy benzaldehyde, 4-hydroxy-3,5-di-tert.-butylbenzaldehyde, CAS-1620-98-0, DB-022118, 3,5-di-tertiary-butyl-4-hydroxybenzaldehyde, NS00009935, EN300-17563, AB01324450-02, 3,5-di0T0butyl-4-hydroxybenzaldehyde*hemihydrate, AE-641/02487004, Benzaldehyde,5-bis(1,1-dimethylethyl)-4-hydroxy-, SR-01000944840, 3,5-Ditert-butyl-4-hydroxybenzaldehyde, AldrichCPR, SR-01000944840-1, Q27271830, Z56957492, F1673-1281, Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-(9CI), 2,6-Ditert-butyl-4-(hydroxymethylene)-2,5-cyclohexadien-1-one #, 2,3,5,6-Detetrahydrocyclohexanone, 2,6-di-t-butyl-4-hydroxymethylene-, 3-TERT-BUTYL-2-HYDROXY-BETA,BETA,5-TRIMETHYLBENZENEETHYL-BETA-D-GLUCOSIDURONATE, 216-592-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | O=Ccccccc6)CC)C)C)))O))CC)C)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-ditert-butyl-4-hydroxybenzaldehyde |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.4 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H22O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DOZRDZLFLOODMB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | BHT-CHO, 2,6-Di-tert-butyl-4-formylphenol, 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde, 4-Formyl-2,6-di-tert-butylphenol, 4-Hydroxy-3,5-di-tert-butylbenzaldehyde, 3,5-Di-tert-butyl-4-hydroxybenzaldehyde, 4-hydroxy-3,5-di-tert-butyl-benzaldehyde |
| Esol Class | Moderately soluble |
| Functional Groups | cC=O, cO |
| Compound Name | 3,5-Di-tert-butyl-4-hydroxybenzaldehyde |
| Kingdom | Organic compounds |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Gi Absorption | True |
| 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 |
| Inchi | InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3 |
| Smiles | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Hydroxybenzaldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279