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(+)-1-Phenylethanol
CAS: 1517-69-7 | C8H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1517-69-7
Molecular Formula:
C8H10O
Molecular Weight:
122.16699999999996 g/mol
Names and Synonyms:
(+)-1-Phenylethanol
Benzenemethanol, α-methyl-, (αR)-
Benzyl alcohol, α-methyl-, (R)-(+)-
Benzenemethanol, α-methyl-, (R)-
(αR)-α-Methylbenzenemethanol
D-(+)-Methylphenylcarbinol
(+)-α-Methylbenzyl alcohol
(+)-1-Phenylethanol
(R)-α-Methylbenzyl alcohol
(R)-(+)-α-Hydroxyethylbenzene
(+)-α-Phenylethanol
d-1-Phenylethanol
(R)-(+)-α-Phenylethanol
D-(+)-α-Phenylethanol
(R)-(+)-α-Methylbenzyl alcohol
d-α-Phenethyl alcohol
(R)-α-Phenylethanol
R(+)-Phenylethanol
(R)-(+)-α-Methylbenzenemethanol
(R)-1-Phenylethyl alcohol
(R)-(+)-α-Phenethyl alcohol
(R)-Phenylmethylcarbinol
(R)-1-Phenylethanol
(+)-sec-Phenethyl alcohol
(R)-sec-Phenethyl alcohol
(R)-α-Hydroxyethylbenzene
(+)-1-Phenylethyl alcohol
(R)-α-Phenethyl alcohol
(+)-α-Phenethyl alcohol
(R)-α-Methylbenzenemethanol
R-α-Methylbenzyl alcohol
(R)-(+)-sec-Phenethyl alcohol
(R)-sec-Phenylethyl alcohol
(R)-Phenylethanol
(R)-(+)-1-Phenylethanol
(1R)-1-Phenylethanol
(R)-(+)-Phenylethanol
(R)-(+)-1-Phenylethanol
(1R)-1-Phenylethanol
(R)-Phenylethanol
(R)-1-Phenylethan-1-ol
(1R)-1-Phenylethan-1-ol
Identifiers:
SMILES:
C[C@@H](O)c1ccccc1
InChI:
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/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 | 122.17 g/mol | Legacy Database |
| cas-boiling-point | 98 °C None | Legacy Database |
| cas-canonical-smile | OC(C=1C=CC=CC1)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=WAPNOHKVXSQRPX-SSDOTTSWSA-N None | Legacy Database |
| cas-melting-point | 9-11 °C None | Legacy Database |
| cas-name | (+)-1-Phenylethanol None | Legacy Database |
| LogP | 1.7399 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.16699999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 37.07580000000001 | RDKit |
