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(+)-1-Phenyl-1-Propanol
CAS: 1565-74-8 | C9H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1565-74-8
Molecular Formula:
C9H12O
Molecular Weight:
136.194 g/mol
Names and Synonyms:
(+)-1-Phenyl-1-Propanol
Benzenemethanol, α-ethyl-, (αR)-
Benzyl alcohol, α-ethyl-, (+)-
Benzenemethanol, α-ethyl-, (R)-
(αR)-α-Ethylbenzenemethanol
(+)-1-Phenylpropyl alcohol
(R)-(+)-α-Hydroxypropylbenzene
(R)-(+)-1-Phenyl-1-propanol
(R)-(+)-α-Ethylbenzenemethanol
(+)-1-Phenyl-1-propanol
(+)-α-Ethylbenzyl alcohol
(R)-Phenylethylcarbinol
(R)-α-Ethylbenzyl alcohol
(R)-1-Phenyl-1-propanol
(R)-α-Hydroxypropylbenzene
(R)-1-Phenylpropanol
(+)-α-Phenylpropanol
(+)-1-Phenylpropanol
(R)-α-Ethylbenzenemethanol
(+)-(αR)-α-Ethylbenzenemethanol
(R)-(+)-1-Phenyl-1-propanol
(1R)-1-Phenylpropan-1-ol
Identifiers:
SMILES:
CC[C@@H](O)c1ccccc1
InChI:
InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m1/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 136.19 g/mol | Legacy Database |
| cas-boiling-point | 104 °C @ Press: 15 Torr None | Legacy Database |
| cas-canonical-smile | OC(C=1C=CC=CC1)CC None | Legacy Database |
| cas-inchi | InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=DYUQAZSOFZSPHD-SECBINFHSA-N None | Legacy Database |
| cas-name | (+)-1-Phenyl-1-propanol None | Legacy Database |
| LogP | 2.13 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.194 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.088815004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.69280000000002 | RDKit |
