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Molecule
4-Methoxy-Α-(4-Methoxyphenyl)Benzenemethanol
CAS: 728-87-0 · C15H16O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 728-87-0
- Molecular Formula
- C15H16O3
- Molecular Mass
- 244.29 g/mol
Identifiers
CAS Registry Number
728-87-0
SMILES
COc1ccc(C(O)c2ccc(OC)cc2)cc1
InChI Key
ZODAOVNETBTTJX-UHFFFAOYSA-N
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
Names and Synonyms
- 4-Methoxy-Α-(4-Methoxyphenyl)Benzenemethanol Synonym
- Benzenemethanol, 4-methoxy-α-(4-methoxyphenyl)- Synonym
- Benzhydrol, 4,4′-dimethoxy- Synonym
- 4-Methoxy-α-(4-methoxyphenyl)benzenemethanol Synonym
- 4-Methoxy-4′-methoxybenzhydrol Synonym
- 4,4′-Dimethoxybenzhydrol Synonym
- Bis(p-methoxyphenyl)carbinol Synonym
- p,p′-Dimethoxybenzhydrol Synonym
- Bis(4-methoxyphenyl)methanol Synonym
- 4,4′-Dimethoxydiphenylcarbinol Synonym
- Bis(p-methoxyphenyl)methanol Synonym
- NSC 5256 Synonym
- 4-methoxy-α-(4-methoxyphenyl)benzenemethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.29 g/mol | CAS Common Chemistry |
| 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 |
| 2.7855 | RDKit | |
| 2.6 | chempirical lib | |
| Molar Refractivity | 70.04980000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 244.109944372 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 244.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H16O3.
