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Molecule
2-[2-(3-Methoxyphenyl)Ethyl]Phenol
CAS: 167145-13-3 · C15H16O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 167145-13-3
- Molecular Formula
- C15H16O2
- Molecular Mass
- 228.29 g/mol
Identifiers
CAS Registry Number
167145-13-3
SMILES
COc1cccc(CCc2ccccc2O)c1
InChI Key
HGQQRAXOBYWKDV-UHFFFAOYSA-N
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
Names and Synonyms
- 2-[2-(3-Methoxyphenyl)Ethyl]Phenol Systematic Name
- Phenol, 2-[2-(3-methoxyphenyl)ethyl]- Synonym
- 2-[2-(3-Methoxyphenyl)ethyl]phenol Synonym
- 2-(3-Methoxyphenethyl)phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.29 g/mol | CAS Common Chemistry |
| 228.29100000000003 g/mol | RDKit | |
| 228.291 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 |
| 3.186 | RDKit | |
| 2.88 | chempirical lib | |
| Molar Refractivity | 68.50880000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 228.115029752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 228.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16O2.
