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3-(Phenylmethoxy)Benzenemethanol
CAS: 1700-30-7 | C14H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1700-30-7
Molecular Formula:
C14H14O2
Molecular Mass:
214.26 g/mol
Names and Synonyms:
3-(Phenylmethoxy)Benzenemethanol
Benzenemethanol, 3-(phenylmethoxy)-
Benzyl alcohol, m-(benzyloxy)-
3-(Phenylmethoxy)benzenemethanol
3-(Benzyloxy)benzyl alcohol
3-Benzyloxybenzylic alcohol
(3-Benzyloxyphenyl)methanol
(3-Phenylmethoxyphenyl)methanol
Identifiers:
SMILES:
OCc1cccc(OCc2ccccc2)c1
InChI:
InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2
Key Properties
Melting Point
49 °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 | 214.26 g/mol | CAS Common Chemistry |
| 214.264 g/mol | RDKit | |
| 214.099379688 g/mol | RDKit | |
| Canonical SMILES | OCC=1C=CC=C(OCC=2C=CC=CC2)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AFKLSWIRJUJWKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49 °C | CAS Common Chemistry |
| Name | 3-(Phenylmethoxy)benzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.757900000000001 | RDKit |
| Molar Refractivity | 63.13880000000004 | RDKit |
