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4′-Hydroxypropiophenone
CAS: 70-70-2 | C9H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70-70-2
Molecular Formula:
C9H10O2
Molecular Mass:
150.18 g/mol
Names and Synonyms:
4′-Hydroxypropiophenone
1-Propanone, 1-(4-hydroxyphenyl)-
Propiophenone, 4′-hydroxy-
Propiophenone, p-hydroxy-
1-(4-Hydroxyphenyl)-1-propanone
B 360
H 365
Ethyl p-hydroxyphenyl ketone
Frenantol
Frenohypon
p-Hydroxyphenyl-1-propanone
p-Hydroxypropiophenone
Hypophenon
Paroxon
Paroxypropione
POP
Profenone
p-Propionylphenol
1-(p-Hydroxyphenyl)-1-propanone
p-Propiophenol
4′-Hydroxypropiophenone
Possipione
Hypostat
4-Propionylphenol
Bio-fren
Proxiphenon
Paroxypropion
Ibiopopp
Frenon
Frenormon
Mepal
4-Propanoylphenol
Possipion
NSC 2834
NSC 33949
Ethyl 4-hydroxyphenyl ketone
4-Hydroxyphenyl ethyl ketone
1-(4-Hydroxyphenyl)propanone
4-Hydroxyphenyl-1-propanone
Identifiers:
SMILES:
CCC(=O)c1ccc(O)cc1
InChI:
InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
Key Properties
Boiling Point
140-145 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
149 °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 | 150.18 g/mol | CAS Common Chemistry |
| 150.177 g/mol | RDKit | |
| 150.06807956 g/mol | RDKit | |
| Boiling Point | 140-145 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(O)C=C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RARSHUDCJQSEFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149 °C | CAS Common Chemistry |
| Name | 4′-Hydroxypropiophenone | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9848999999999997 | RDKit |
| Molar Refractivity | 42.728300000000026 | RDKit |
