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2-(Phenylmethoxy)Phenol
CAS: 6272-38-4 | C13H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6272-38-4
Molecular Formula:
C13H12O2
Molecular Mass:
200.24 g/mol
Names and Synonyms:
2-(Phenylmethoxy)Phenol
Phenol, 2-(phenylmethoxy)-
Phenol, o-(benzyloxy)-
2-(Phenylmethoxy)phenol
Benzyl o-hydroxyphenyl ether
o-(Benzyloxy)phenol
2-(Benzyloxy)phenol
NSC 37426
NSC 72669
Identifiers:
SMILES:
Oc1ccccc1OCc1ccccc1
InChI:
InChI=1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
Key Properties
Boiling Point
173-174 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
38 °C @ Solvent: Methanol
CAS Common Chemistry
Density
1.15 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 | 1.15 g/cm³ | CAS Common Chemistry |
| 1.154 g/cm3 @ Temp: 22 °C | CAS Common Chemistry | |
| Boiling Point | 173-174 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=CC1OCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CCZCXFHJMKINPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 2-(Phenylmethoxy)phenol | 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 | 2.9712000000000005 | RDKit |
| Molar Refractivity | 58.88080000000003 | RDKit |
