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Molecule
2,6-Di-Tert-Butyl-4-Methoxyphenol
CAS: 489-01-0 · C15H24O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 489-01-0
- Molecular Formula
- C15H24O2
- Molecular Mass
- 236.35 g/mol
Identifiers
CAS Registry Number
489-01-0
SMILES
COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI Key
SLUKQUGVTITNSY-UHFFFAOYSA-N
InChI
InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
Names and Synonyms
- 2,6-Di-Tert-Butyl-4-Methoxyphenol Synonym
- Phenol, 2,6-bis(1,1-dimethylethyl)-4-methoxy- Synonym
- 4-Methoxy-2,6-di-tert-butylphenol Synonym
- Topanol 354 Synonym
- 4-Hydroxy-3,5-di-tert-butylanisole Synonym
- NSC 14451 Synonym
- 2,6-Bis(tert-butyl)-4-methoxyphenol Synonym
- Phenol, 2,6-di-tert-butyl-4-methoxy- Synonym
- 2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol Synonym
- 3,5-Di-tert-butyl-4-hydroxyanisole Synonym
- 2,6-Di-tert-butyl-4-methoxyphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.35 g/mol | CAS Common Chemistry |
| 236.355 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(OC)=CC1C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SLUKQUGVTITNSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105-106 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | 2,6-Di-tert-butyl-4-methoxyphenol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 3.9958000000000036 | RDKit |
| 3.9958 | RDKit | |
| 4.2 | chempirical lib | |
| Molar Refractivity | 72.05880000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 236.177630008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 236.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H24O2.
