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4-Methoxy-Α-(4-Methoxyphenyl)Benzenemethanol
CAS: 728-87-0 | C15H16O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
728-87-0
Molecular Formula:
C15H16O3
Molecular Mass:
244.29 g/mol
Names and Synonyms:
4-Methoxy-Α-(4-Methoxyphenyl)Benzenemethanol
Benzenemethanol, 4-methoxy-α-(4-methoxyphenyl)-
Benzhydrol, 4,4′-dimethoxy-
4-Methoxy-α-(4-methoxyphenyl)benzenemethanol
4-Methoxy-4′-methoxybenzhydrol
4,4′-Dimethoxybenzhydrol
Bis(p-methoxyphenyl)carbinol
p,p′-Dimethoxybenzhydrol
Bis(4-methoxyphenyl)methanol
4,4′-Dimethoxydiphenylcarbinol
Bis(p-methoxyphenyl)methanol
NSC 5256
4-methoxy-α-(4-methoxyphenyl)benzenemethanol
Identifiers:
SMILES:
COc1ccc(C(O)c2ccc(OC)cc2)cc1
InChI:
InChI=1S/C15H16O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15-16H,1-2H3
Key Properties
Melting Point
141-142 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 244.29 g/mol | CAS Common Chemistry |
| 244.109944372 g/mol | RDKit | |
| Canonical SMILES | OC(C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H16O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15-16H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZODAOVNETBTTJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141-142 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 4-Methoxy-α-(4-methoxyphenyl)benzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 2.7855000000000008 | RDKit |
| Molar Refractivity | 70.04980000000005 | RDKit |
