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4-Methoxybenzhydrol
CAS: 720-44-5 | C14H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
720-44-5
Molecular Formula:
C14H14O2
Molecular Mass:
214.26 g/mol
Names and Synonyms:
4-Methoxybenzhydrol
Benzenemethanol, 4-methoxy-α-phenyl-
Benzyl alcohol, p-methoxy-α-phenyl-
Benzhydrol, 4-methoxy-
4-Methoxy-α-phenylbenzenemethanol
4-Methoxybenzhydrol
p-Methoxy-α-phenylbenzyl alcohol
α-Phenyl-p-anisyl alcohol
p-Methoxybenzhydrol
α-Phenyl-4-methoxybenzenemethanol
(4-Methoxyphenyl)phenylmethanol
NSC 5186
4-Methoxydiphenylmethanol
α-(4-Methoxyphenyl)benzyl alcohol
Identifiers:
SMILES:
COc1ccc(C(O)c2ccccc2)cc1
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
Key Properties
Melting Point
58 °C
CAS Common Chemistry
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 | 214.26 g/mol | CAS Common Chemistry |
| 214.264 g/mol | RDKit | |
| 214.099379688 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 |
| Molar Refractivity | 63.49780000000004 | RDKit |
