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4-(Benzyloxy)Benzyl Alcohol
CAS: 836-43-1 | C14H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
836-43-1
Molecular Formula:
C14H14O2
Molecular Mass:
214.26 g/mol
Names and Synonyms:
4-(Benzyloxy)Benzyl Alcohol
Benzenemethanol, 4-(phenylmethoxy)-
Benzyl alcohol, p-(benzyloxy)-
4-(Phenylmethoxy)benzenemethanol
p-Benzyloxybenzyl alcohol
4-(Benzyloxy)benzyl alcohol
(4-Benzyloxyphenyl)methanol
NSC 131675
Identifiers:
SMILES:
OCc1ccc(OCc2ccccc2)cc1
InChI:
InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
Key Properties
Melting Point
84-86 °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 |
| 214.26400000000004 g/mol | RDKit | |
| 214.099379688 g/mol | RDKit | |
| Canonical SMILES | OCC1=CC=C(OCC=2C=CC=CC2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OEBIVOHKFYSBPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84-86 °C | CAS Common Chemistry |
| Name | 4-(Benzyloxy)benzyl alcohol | 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 |
