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Bis(4-Hydroxyphenyl)Diphenylmethane
CAS: 1844-01-5 | C25H20O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1844-01-5
Molecular Formula:
C25H20O2
Molecular Mass:
352.43 g/mol
Names and Synonyms:
Bis(4-Hydroxyphenyl)Diphenylmethane
Phenol, 4,4′-(diphenylmethylene)bis-
Phenol, 4,4′-(diphenylmethylene)di-
4,4′-(Diphenylmethylene)bis[phenol]
4,4′-Dihydroxytetraphenylmethane
Bis(4-hydroxyphenyl)diphenylmethane
Bisphenol TP
1,1-Diphenyl-1,1-bis(4-hydroxyphenyl)methane
Bis(p-hydroxyphenyl)diphenylmethane
NSC 30848
BisP-DP
Bisphenol BP
4,4′-(Diphenylmethylene)diphenol
1,1-Bis(4-hydroxyphenyl)-1,1-diphenylmethane
Identifiers:
SMILES:
Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1
InChI:
InChI=1S/C25H20O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18,26-27H
Key Properties
Melting Point
296-298 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 352.43 g/mol | CAS Common Chemistry |
| 352.43300000000005 g/mol | RDKit | |
| 352.14632988 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C4=CC=C(O)C=C4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H20O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18,26-27H | CAS Common Chemistry |
| InChI Key | InChIKey=BATCUENAARTUKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 296-298 °C | CAS Common Chemistry |
| Name | Bis(4-hydroxyphenyl)diphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 5.480500000000005 | RDKit |
| Molar Refractivity | 108.08160000000001 | RDKit |
