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1,1-Bis(4-Hydroxyphenyl)-1-Phenylethane
CAS: 1571-75-1 | C20H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1571-75-1
Molecular Formula:
C20H18O2
Molecular Mass:
290.36 g/mol
Names and Synonyms:
1,1-Bis(4-Hydroxyphenyl)-1-Phenylethane
Phenol, 4,4′-(1-phenylethylidene)bis-
Phenol, 4,4′-(α-methylbenzylidene)di-
4,4′-(1-Phenylethylidene)bis[phenol]
1,1-Bis(4-hydroxyphenyl)-1-phenylethane
4,4′-(α-Methylbenzylidene)diphenol
Bis(4-hydroxyphenyl)methylphenylmethane
Bisphenol ACP
4,4′-(1-Phenylethylidene)diphenol
Bisphenol AP
Bisp-Ap
NK-AP
α,α-Bis(4-hydroxyphenyl)ethylbenzene
1-Phenyl-1,1-bis(4-hydroxyphenyl)ethane
Identifiers:
SMILES:
CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChI:
InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
Key Properties
Melting Point
175 °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 | 290.36 g/mol | CAS Common Chemistry |
| 290.362 g/mol | RDKit | |
| 290.130679816 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C3=CC=C(O)C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VOWWYDCFAISREI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175 °C | CAS Common Chemistry |
| Name | 1,1-Bis(4-hydroxyphenyl)-1-phenylethane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.452100000000003 | RDKit |
| Molar Refractivity | 88.21160000000003 | RDKit |
