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Molecule
Tetramethyl Bisphenol F
CAS: 5384-21-4 · C17H20O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5384-21-4
- Molecular Formula
- C17H20O2
- Molecular Mass
- 256.34 g/mol
Identifiers
CAS Registry Number
5384-21-4
SMILES
Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChI Key
AZZWZMUXHALBCQ-UHFFFAOYSA-N
InChI
InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3
Names and Synonyms
- Tetramethyl Bisphenol F Synonym
- Phenol, 4,4′-methylenebis[2,6-dimethyl- Synonym
- 2,6-Xylenol, 4,4′-methylenedi- Synonym
- 4,4′-Methylenebis[2,6-dimethylphenol] Synonym
- 3,3′,5,5′-Tetramethyl-4,4′-dihydroxydiphenylmethane Synonym
- 4,4′-Methylenedi-2,6-xylenol Synonym
- 4,4′-Dihydroxy-3,3′,5,5′-tetramethyldiphenylmethane Synonym
- Bis(4-hydroxy-3,5-dimethylphenyl)methane Synonym
- 4,4′-Methylenebis[2,6-xylenol] Synonym
- Bis(3,5-dimethyl-4-hydroxyphenyl)methane Synonym
- 4,4′-Methylenebis(2,6-dimethylphenol) Synonym
- Desoxon M Synonym
- TMBPF Synonym
- NSC 128403 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.34 g/mol | CAS Common Chemistry |
| 256.34499999999997 g/mol | RDKit | |
| 256.345 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethyl_bisphenol_F | CAS Common Chemistry |
| Canonical SMILES | OC=1C(=CC(=CC1C)CC=2C=C(C(O)=C(C2)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AZZWZMUXHALBCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | Bis(3,5-dimethyl-4-hydroxyphenyl)methane | CAS Common Chemistry |
| Heavy Atom Count | 19 | 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 | 3.922280000000003 | RDKit |
| 3.9223 | RDKit | |
| 3.66 | chempirical lib | |
| Molar Refractivity | 77.96760000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 256.14632988 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 256.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H20O2.
