Back to Search
Molecule
Bisphenol C
CAS: 79-97-0 · C17H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 79-97-0
- Molecular Formula
- C17H20O2
- Molecular Mass
- 256.34 g/mol
Identifiers
CAS Registry Number
79-97-0
SMILES
Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O
InChI Key
YMTYZTXUZLQUSF-UHFFFAOYSA-N
InChI
InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
Names and Synonyms
- Bisphenol C Common Name
- Phenol, 4,4′-(1-methylethylidene)bis[2-methyl- Synonym
- o-Cresol, 4,4′-isopropylidenedi- Synonym
- 4,4′-(1-Methylethylidene)bis[2-methylphenol] Synonym
- Bisphenol C Synonym
- 4,4′-Isopropylidenedi-o-cresol Synonym
- 2,2-Bis(4-hydroxy-3-methylphenyl)propane Synonym
- Nonox DCP Synonym
- 3,3′-Dimethyldian Synonym
- 2,2-Bis(3-methyl-4-hydroxyphenyl)propane Synonym
- 4,4′-Isopropylidenebis[2-methylphenol] Synonym
- 4,4′-Dihydroxy-3,3′-dimethyldiphenyl-2,2-propane Synonym
- Dicresylolpropane Synonym
- 3,3′-Dimethylbisphenol A Synonym
- Bis-o-cresol A Synonym
- 3,3′-Dimethyl-4,4′-dihydroxydiphenyl-2,2-propane Synonym
- 2,2′-Dimethyl-4,4′-isopropylidenebisphenol Synonym
- 2,2′-(4-Hydroxy-3-methylphenyl)propane Synonym
- NSC 408489 Synonym
- B 1567 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 | |
| Canonical SMILES | OC1=CC=C(C=C1C)C(C2=CC=C(O)C(=C2)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YMTYZTXUZLQUSF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C | CAS Common Chemistry |
| Name | Bisphenol C | 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 | 4.040540000000004 | RDKit |
| 4.0405 | RDKit | |
| 3.66 | chempirical lib | |
| Molar Refractivity | 77.81560000000003 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
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 256.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H20O2.
