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1-(4-Chlorophenyl)-1-Phenylethanol
CAS: 59767-24-7 | C14H13ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59767-24-7
Molecular Formula:
C14H13ClO
Molecular Mass:
232.71 g/mol
Names and Synonyms:
1-(4-Chlorophenyl)-1-Phenylethanol
Benzenemethanol, 4-chloro-α-methyl-α-phenyl-
Benzhydrol, 4-chloro-α-methyl-
4-Chloro-α-methyl-α-phenylbenzenemethanol
p-Chloro-α-methylbenzhydrol
1-(p-Chlorophenyl)-1-phenylethanol
(p-Chlorophenyl)methylphenylcarbinol
EGIS 5927
1-(4-Chlorophenyl)-1-phenylethanol
4-Chloro(α-methyl-α-phenyl)benzenemethanol
1-(4-Chlorophenyl)-1-phenylethan-1-ol
Identifiers:
SMILES:
CC(O)(c1ccccc1)c1ccc(Cl)cc1
InChI:
InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
Key Properties
Boiling Point
140 °C @ Press: 0.3 Torr
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 | 232.71 g/mol | CAS Common Chemistry |
| 232.70999999999998 g/mol | RDKit | |
| 232.065492716 g/mol | RDKit | |
| Boiling Point | 140 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)C(O)(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MHJLXHJZQCHSIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(4-Chlorophenyl)-1-phenylethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 3.5958000000000023 | RDKit |
| Molar Refractivity | 66.56680000000004 | RDKit |
