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4,4′-Dihydroxydiphenyl Ether
CAS: 1965-09-9 | C12H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1965-09-9
Molecular Formula:
C12H10O3
Molecular Mass:
202.21 g/mol
Names and Synonyms:
4,4′-Dihydroxydiphenyl Ether
Phenol, 4,4′-oxybis-
Phenol, 4,4′-oxydi-
Phenol, p,p′-oxydi-
Phenol, p,p′-oxybis-
4,4′-Oxybis[phenol]
4,4′-Dihydroxydiphenyl ether
Bis(p-hydroxyphenyl) ether
p-(p-Hydroxyphenoxy)phenol
4,4′-Dihydroxydiphenyl oxide
4,4′-Oxydiphenol
Bis(4-hydroxyphenyl) ether
p-Hydroxyphenyl ether
Quinol ether
Specianol DPE-H
4-(4-Hydroxyphenoxy)phenol
4,4′-Oxybiphenol
P-O-P
4,4′-Bisphenol ether
Identifiers:
SMILES:
Oc1ccc(Oc2ccc(O)cc2)cc1
InChI:
InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
Key Properties
Melting Point
160 °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 | 202.21 g/mol | CAS Common Chemistry |
| 202.209 g/mol | RDKit | |
| 202.06299418 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(OC2=CC=C(O)C=C2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=NZGQHKSLKRFZFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160 °C | CAS Common Chemistry |
| Name | 4,4′-Dihydroxydiphenyl ether | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 2.8901000000000012 | RDKit |
| Molar Refractivity | 56.28760000000003 | RDKit |
