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1-(4-Biphenylyl)Ethanol
CAS: 3562-73-0 | C14H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3562-73-0
Molecular Formula:
C14H14O
Molecular Mass:
198.27 g/mol
Names and Synonyms:
1-(4-Biphenylyl)Ethanol
[1,1′-Biphenyl]-4-methanol, α-methyl-
4-Biphenylmethanol, α-methyl-
α-Methyl[1,1′-biphenyl]-4-methanol
Diascleril
α-Methyl-4-biphenylmethanol
Difencol
Drucoles
1-(4′-Biphenyl)-1-ethanol
1-(4-Biphenylyl)ethanol
(±)-1-(4-Phenylphenyl)ethanol
(RS)-1-p-Biphenylethanol
4-(1-Hydroxyethyl)-1,1′-biphenyl
(±)-1-(4-Biphenyl)ethanol
α-Methyl-p-phenylbenzyl alcohol
α-Methyl-1,1′-biphenyl-4-methanol
4-(1-Hydroxyethyl)biphenyl
NSC 58063
1-(p-Biphenyl)ethanol
α-Methyl-4-phenylbenzyl alcohol
1-(p-Phenylphenyl)ethanol
1-(4-Phenylphenyl)ethanol
1-(4-Biphenyl)ethanol
1-(4-Biphenylyl)-1-ethanol
1-(4-Phenylphenyl)ethan-1-ol
Identifiers:
SMILES:
CC(O)c1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3
Key Properties
Melting Point
90-92 °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 | 198.27 g/mol | CAS Common Chemistry |
| 198.26500000000001 g/mol | RDKit | |
| 198.104465068 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC(=CC1)C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GOISDOCZKZYADO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90-92 °C | CAS Common Chemistry |
| Name | 1-(4-Biphenylyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.406900000000002 | RDKit |
| Molar Refractivity | 62.51180000000004 | RDKit |
