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Molecule
4-(Benzyloxy)Benzyl Alcohol
CAS: 836-43-1 · C14H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 836-43-1
- Molecular Formula
- C14H14O2
- Molecular Mass
- 214.26 g/mol
Identifiers
CAS Registry Number
836-43-1
SMILES
OCc1ccc(OCc2ccccc2)cc1
InChI Key
OEBIVOHKFYSBPE-UHFFFAOYSA-N
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
Names and Synonyms
- 4-(Benzyloxy)Benzyl Alcohol Synonym
- Benzenemethanol, 4-(phenylmethoxy)- Synonym
- Benzyl alcohol, p-(benzyloxy)- Synonym
- 4-(Phenylmethoxy)benzenemethanol Synonym
- p-Benzyloxybenzyl alcohol Synonym
- 4-(Benzyloxy)benzyl alcohol Synonym
- (4-Benzyloxyphenyl)methanol Synonym
- NSC 131675 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.26 g/mol | CAS Common Chemistry |
| 214.26400000000004 g/mol | RDKit | |
| 214.264 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 |
| 2.7579 | RDKit | |
| 2.49 | chempirical lib | |
| Molar Refractivity | 63.13880000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 214.099379688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 214.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14O2.
