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Molecule
4-Methoxybenzhydrol
CAS: 720-44-5 · C14H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 720-44-5
- Molecular Formula
- C14H14O2
- Molecular Mass
- 214.26 g/mol
Identifiers
CAS Registry Number
720-44-5
SMILES
COc1ccc(C(O)c2ccccc2)cc1
InChI Key
BEGZWXVLBIZFKQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3
Names and Synonyms
- 4-Methoxybenzhydrol Synonym
- Benzenemethanol, 4-methoxy-α-phenyl- Synonym
- Benzyl alcohol, p-methoxy-α-phenyl- Synonym
- Benzhydrol, 4-methoxy- Synonym
- 4-Methoxy-α-phenylbenzenemethanol Synonym
- 4-Methoxybenzhydrol Synonym
- p-Methoxy-α-phenylbenzyl alcohol Synonym
- α-Phenyl-p-anisyl alcohol Synonym
- p-Methoxybenzhydrol Synonym
- α-Phenyl-4-methoxybenzenemethanol Synonym
- (4-Methoxyphenyl)phenylmethanol Synonym
- NSC 5186 Synonym
- 4-Methoxydiphenylmethanol Synonym
- α-(4-Methoxyphenyl)benzyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.26 g/mol | CAS Common Chemistry |
| 214.264 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC=CC1)C2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BEGZWXVLBIZFKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58 °C | CAS Common Chemistry |
| Name | 4-Methoxybenzhydrol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 2.7769000000000013 | RDKit |
| 2.7769 | RDKit | |
| Molar Refractivity | 63.49780000000004 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.
