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Molecule
4,4'-Dihydroxybenzophenone
CAS: 611-99-4 · C13H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 611-99-4
- Molecular Formula
- C13H10O3
- Molecular Mass
- 214.22 g/mol
Identifiers
CAS Registry Number
611-99-4
SMILES
O=C(c1ccc(O)cc1)c1ccc(O)cc1
InChI Key
RXNYJUSEXLAVNQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
Names and Synonyms
- 4,4'-Dihydroxybenzophenone Systematic Name
- Methanone, bis(4-hydroxyphenyl)- Synonym
- Benzophenone, 4,4′-dihydroxy- Synonym
- Bis(4-hydroxyphenyl)methanone Synonym
- p,p′-Dihydroxybenzophenone Synonym
- Bis(4-hydroxyphenyl) ketone Synonym
- Bis(p-hydroxy)benzophenone Synonym
- HBP (ketone) Synonym
- 4,4′-Dihydroxydiphenyl ketone Synonym
- HBP Synonym
- 4,4′-Dihydroxybenzophenone Synonym
- NSC 2831 Synonym
- 4,4′-Hydroxybenzophenone Synonym
- 4-DHB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.22 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Dihydroxybenzophenone | CAS Common Chemistry |
| Boiling Point | 444 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H | CAS Common Chemistry |
| InChI Key | InChIKey=RXNYJUSEXLAVNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210 °C | CAS Common Chemistry |
| Name | 4,4′-Dihydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.3288 | RDKit |
| Molar Refractivity | 59.646100000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.06299418 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 214.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O3.
