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Molecule
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
Identifiers
CAS Registry Number
6272-38-4
SMILES
Oc1ccccc1OCc1ccccc1
InChI Key
CCZCXFHJMKINPE-UHFFFAOYSA-N
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
Names and Synonyms
- 2-(Phenylmethoxy)Phenol Synonym
- Phenol, 2-(phenylmethoxy)- Synonym
- Phenol, o-(benzyloxy)- Synonym
- 2-(Phenylmethoxy)phenol Synonym
- Benzyl o-hydroxyphenyl ether Synonym
- o-(Benzyloxy)phenol Synonym
- 2-(Benzyloxy)phenol Synonym
- NSC 37426 Synonym
- NSC 72669 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.24 g/mol | CAS Common Chemistry |
| 200.23700000000002 g/mol | RDKit | |
| 200.237 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.154 g/cm3 @ 22 °C | 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 |
| 2.9712 | RDKit | |
| Molar Refractivity | 58.88080000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 200.083729624 g/mol | RDKit |
| Boiling Point | 173-174 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 200.24 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12O2.
