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[1,1′-Biphenyl]-4-Methanol
CAS: 3597-91-9 | C13H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3597-91-9
Molecular Formula:
C13H12O
Molecular Mass:
184.24 g/mol
Names and Synonyms:
[1,1′-Biphenyl]-4-Methanol
[1,1′-Biphenyl]-4-methanol
4-Biphenylmethanol
p-Phenylbenzyl alcohol
4-(Hydroxymethyl)biphenyl
4HMB
4-Biphenylylmethanol
4-Phenylbenzyl alcohol
4-Hydroxymethyl-1,1′-biphenyl
NSC 233860
NSC 84169
(4-Phenylphenyl)methanol
(1,1′-Biphenyl-4-yl)methanol
([1,1′-Biphenyl]-4-ylmethyl)alcohol
Identifiers:
SMILES:
OCc1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2
Key Properties
Boiling Point
183-184 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
101-102 °C
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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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 | 184.24 g/mol | CAS Common Chemistry |
| 184.238 g/mol | RDKit | |
| 184.088815004 g/mol | RDKit | |
| Boiling Point | 183-184 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC=1C=CC(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AXCHZLOJGKSWLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101-102 °C | CAS Common Chemistry |
| Name | [1,1′-Biphenyl]-4-methanol | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.8459000000000003 | RDKit |
| Molar Refractivity | 57.80080000000003 | RDKit |
