Back to Search
Molecule
(+)-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 Mass
- 136.19 g/mol
Identifiers
CAS Registry Number
1565-74-8
SMILES
CC[C@@H](O)c1ccccc1
InChI Key
DYUQAZSOFZSPHD-SECBINFHSA-N
InChI
InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m1/s1
Names and Synonyms
- (+)-1-Phenyl-1-Propanol Synonym
- Benzenemethanol, α-ethyl-, (αR)- Synonym
- Benzyl alcohol, α-ethyl-, (+)- Synonym
- Benzenemethanol, α-ethyl-, (R)- Synonym
- (αR)-α-Ethylbenzenemethanol Synonym
- (+)-1-Phenylpropyl alcohol Synonym
- (R)-(+)-α-Hydroxypropylbenzene Synonym
- (R)-(+)-1-Phenyl-1-propanol Synonym
- (R)-(+)-α-Ethylbenzenemethanol Synonym
- (+)-1-Phenyl-1-propanol Synonym
- (+)-α-Ethylbenzyl alcohol Synonym
- (R)-Phenylethylcarbinol Synonym
- (R)-α-Ethylbenzyl alcohol Synonym
- (R)-1-Phenyl-1-propanol Synonym
- (R)-α-Hydroxypropylbenzene Synonym
- (R)-1-Phenylpropanol Synonym
- (+)-α-Phenylpropanol Synonym
- (+)-1-Phenylpropanol Synonym
- (R)-α-Ethylbenzenemethanol Synonym
- (+)-(αR)-α-Ethylbenzenemethanol Synonym
- (R)-(+)-1-Phenyl-1-propanol Synonym
- (1R)-1-Phenylpropan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.19 g/mol | CAS Common Chemistry |
| 136.194 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC=CC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DYUQAZSOFZSPHD-SECBINFHSA-N | CAS Common Chemistry |
| Name | (+)-1-Phenyl-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.13 | RDKit |
| 2.15 | chempirical lib | |
| Molar Refractivity | 41.69280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 136.088815004 g/mol | RDKit |
| Boiling Point | 104 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 136.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O.
