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2-[2-(3-Methoxyphenyl)Ethyl]Phenol
CAS: 167145-13-3 | C15H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
167145-13-3
Molecular Formula:
C15H16O2
Molecular Mass:
228.29 g/mol
Names and Synonyms:
2-[2-(3-Methoxyphenyl)Ethyl]Phenol
Phenol, 2-[2-(3-methoxyphenyl)ethyl]-
2-[2-(3-Methoxyphenyl)ethyl]phenol
2-(3-Methoxyphenethyl)phenol
Identifiers:
SMILES:
COc1cccc(CCc2ccccc2O)c1
InChI:
InChI=1S/C15H16O2/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16/h2-8,11,16H,9-10H2,1H3
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 | 228.29 g/mol | CAS Common Chemistry |
| 228.29100000000003 g/mol | RDKit | |
| 228.115029752 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=CC1CCC=2C=CC=C(OC)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16O2/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16/h2-8,11,16H,9-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HGQQRAXOBYWKDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[2-(3-Methoxyphenyl)ethyl]phenol | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | 3.1860000000000017 | RDKit |
| Molar Refractivity | 68.50880000000004 | RDKit |
