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4-(Phenylmethoxy)Benzeneethanol
CAS: 61439-59-6 | C15H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61439-59-6
Molecular Formula:
C15H16O2
Molecular Mass:
228.29 g/mol
Names and Synonyms:
4-(Phenylmethoxy)Benzeneethanol
Benzeneethanol, 4-(phenylmethoxy)-
4-(Phenylmethoxy)benzeneethanol
p-(Benzyloxy)phenethyl alcohol
2-(p-Benzyloxyphenyl)ethanol
2-(4-Benzyloxyphenyl)ethanol
β-(p-Benzyloxyphenyl)ethyl alcohol
4-Benzyloxyphenethyl alcohol
2-(4(Benzyloxy)phenyl)ethan-1-ol
4-(Benzyloxy)benzeneethanol
2-[4-(Benzyloxy)phenyl]ethan-1-ol
2-(4-Phenylmethoxyphenyl)ethanol
Identifiers:
SMILES:
OCCc1ccc(OCc2ccccc2)cc1
InChI:
InChI=1S/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2
Key Properties
Melting Point
87-88 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 228.29 g/mol | CAS Common Chemistry |
| 228.29100000000003 g/mol | RDKit | |
| 228.115029752 g/mol | RDKit | |
| Canonical SMILES | OCCC1=CC=C(OCC=2C=CC=CC2)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCUJAHLWCDISCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87-88 °C | CAS Common Chemistry |
| Name | 4-(Phenylmethoxy)benzeneethanol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.8004000000000007 | RDKit |
| Molar Refractivity | 68.00580000000004 | RDKit |
