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Molecule
4-(Phenylmethoxy)Benzeneethanol
CAS: 61439-59-6 · C15H16O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 61439-59-6
- Molecular Formula
- C15H16O2
- Molecular Mass
- 228.29 g/mol
Identifiers
CAS Registry Number
61439-59-6
SMILES
OCCc1ccc(OCc2ccccc2)cc1
InChI Key
JCUJAHLWCDISCC-UHFFFAOYSA-N
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
Names and Synonyms
- 4-(Phenylmethoxy)Benzeneethanol Systematic Name
- Benzeneethanol, 4-(phenylmethoxy)- Synonym
- 4-(Phenylmethoxy)benzeneethanol Synonym
- p-(Benzyloxy)phenethyl alcohol Synonym
- 2-(p-Benzyloxyphenyl)ethanol Synonym
- 2-(4-Benzyloxyphenyl)ethanol Synonym
- β-(p-Benzyloxyphenyl)ethyl alcohol Synonym
- 4-Benzyloxyphenethyl alcohol Synonym
- 2-(4(Benzyloxy)phenyl)ethan-1-ol Synonym
- 4-(Benzyloxy)benzeneethanol Synonym
- 2-[4-(Benzyloxy)phenyl]ethan-1-ol Synonym
- 2-(4-Phenylmethoxyphenyl)ethanol 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 | 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 |
| 2.8004 | RDKit | |
| 2.88 | chempirical lib | |
| Molar Refractivity | 68.00580000000004 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...
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200 ppm
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 228.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16O2.
