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Molecule
2,2-Bis(3,5-Dimethyl-4-Hydroxyphenyl)Propane
CAS: 5613-46-7 · C19H24O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5613-46-7
- Molecular Formula
- C19H24O2
- Molecular Mass
- 284.40 g/mol
Identifiers
CAS Registry Number
5613-46-7
SMILES
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChI Key
ODJUOZPKKHIEOZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
Names and Synonyms
- 2,2-Bis(3,5-Dimethyl-4-Hydroxyphenyl)Propane Synonym
- Phenol, 4,4′-(1-methylethylidene)bis[2,6-dimethyl- Synonym
- 2,6-Xylenol, 4,4′-isopropylidenedi- Synonym
- 4,4′-(1-Methylethylidene)bis[2,6-dimethylphenol] Synonym
- 2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane Synonym
- 4,4′-Isopropylidenedi-2,6-xylenol Synonym
- Bisxylenol A Synonym
- 2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propane Synonym
- 4,4′-Isopropylidenebis(2,6-dimethylphenol) Synonym
- Tetramethylbisphenol A Synonym
- 3,3′,5,5′-Tetramethyl-4,4′-dihydroxydiphenyl-2,2-propane Synonym
- NSC 73730 Synonym
- Bis(3,5-dimethyl-4-hydroxyphenyl)isopropylidene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.40 g/mol | CAS Common Chemistry |
| 284.399 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1C)C(C=2C=C(C(O)=C(C2)C)C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ODJUOZPKKHIEOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-165 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propane | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.657380000000004 | RDKit |
| 4.6574 | RDKit | |
| 4.44 | chempirical lib | |
| Molar Refractivity | 87.28960000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3684 | RDKit |
| 0.37 | chempirical lib | |
| Exact Mass | 284.177630008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 284.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H24O2.
