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Monobenzone
CAS: 103-16-2 | C13H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-16-2
Molecular Formula:
C13H12O2
Molecular Mass:
200.24 g/mol
Names and Synonyms:
Monobenzone
Phenol, 4-(phenylmethoxy)-
Phenol, p-(benzyloxy)-
4-(Phenylmethoxy)phenol
Alba-Dome
Benoquin
Hydroquinone benzyl ether
Hydroquinone monobenzyl ether
p-Hydroxyphenyl benzyl ether
Monobenzone
Monobenzyl ether hydroquinone
Monobenzyl hydroquinone
AgeRite Alba
Superlite (antioxidant)
p-(Benzyloxy)phenol
4-(Benzyloxy)phenol
Benzyl p-hydroxyphenyl ether
Monobenzon
Benzoquin
Carmifal
Depigman
Dermochinona
Leucodinine
Pigmex
Superlite
Agerite
NSC 2132
NSC 33918
Identifiers:
SMILES:
Oc1ccc(OCc2ccccc2)cc1
InChI:
InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
Key Properties
Melting Point
122.5 °C
CAS Common Chemistry
Density
1.26 g/cm³
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 | 200.24 g/mol | CAS Common Chemistry |
| 200.23700000000002 g/mol | RDKit | |
| 200.083729624 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.26 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OC1=CC=C(OCC=2C=CC=CC2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VYQNWZOUAUKGHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 122.5 °C | CAS Common Chemistry |
| Name | Monobenzone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.9712000000000014 | RDKit |
| Molar Refractivity | 58.880800000000036 | RDKit |
