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Molecule
4,4′-Dihydroxydiphenyl Ether
CAS: 1965-09-9 · C12H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1965-09-9
- Molecular Formula
- C12H10O3
- Molecular Mass
- 202.21 g/mol
Identifiers
CAS Registry Number
1965-09-9
SMILES
Oc1ccc(Oc2ccc(O)cc2)cc1
InChI Key
NZGQHKSLKRFZFL-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Dihydroxydiphenyl Ether Systematic Name
- Phenol, 4,4′-oxybis- Synonym
- Phenol, 4,4′-oxydi- Synonym
- Phenol, p,p′-oxydi- Synonym
- Phenol, p,p′-oxybis- Synonym
- 4,4′-Oxybis[phenol] Synonym
- 4,4′-Dihydroxydiphenyl ether Synonym
- Bis(p-hydroxyphenyl) ether Synonym
- p-(p-Hydroxyphenoxy)phenol Synonym
- 4,4′-Dihydroxydiphenyl oxide Synonym
- 4,4′-Oxydiphenol Synonym
- Bis(4-hydroxyphenyl) ether Synonym
- p-Hydroxyphenyl ether Synonym
- Quinol ether Synonym
- Specianol DPE-H Synonym
- 4-(4-Hydroxyphenoxy)phenol Synonym
- 4,4′-Oxybiphenol Synonym
- P-O-P Synonym
- 4,4′-Bisphenol ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.21 g/mol | CAS Common Chemistry |
| 202.209 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 |
| 2.8901 | RDKit | |
| Molar Refractivity | 56.28760000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 202.06299418 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 202.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10O3.
