Back to Search
Molecule
(S)-1-Phenylethanol
CAS: 1445-91-6 · C8H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1445-91-6
- Molecular Formula
- C8H10O
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
1445-91-6
SMILES
C[C@H](O)c1ccccc1
InChI Key
WAPNOHKVXSQRPX-ZETCQYMHSA-N
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
Names and Synonyms
- (S)-1-Phenylethanol Common Name
- Benzenemethanol, α-methyl-, (αS)- Synonym
- Benzyl alcohol, α-methyl-, (S)-(-)- Synonym
- Benzenemethanol, α-methyl-, (S)- Synonym
- Benzyl alcohol, α-methyl-, l- Synonym
- α-methyl-Benzyl alcohol, α-methyl-, (-)- Synonym
- (αS)-α-Methylbenzenemethanol Synonym
- (S)-(-)-Methylphenylcarbinol Synonym
- (S)-(-)-α-Methylbenzyl alcohol Synonym
- (S)-(-)-1-Phenylethanol Synonym
- (S)-α-Methylbenzyl alcohol Synonym
- S-(-)-1-Phenyl-1-ethanol Synonym
- (S)-(-)-α-Phenylethanol Synonym
- (S)-1-Phenylethanol Synonym
- (-)-1-Phenylethanol Synonym
- (-)-α-Phenylethanol Synonym
- (S)-1-Phenyl-1-ethanol Synonym
- l-1-Phenylethanol Synonym
- L-(-)-α-Phenylethanol Synonym
- (-)-α-Methylbenzyl alcohol Synonym
- (S)-sec-Phenethyl alcohol Synonym
- l-α-Phenethyl alcohol Synonym
- (S)-1-Phenylethyl alcohol Synonym
- (S)-(-)-1-Phenylethyl alcohol Synonym
- (S)-α-Methylbenzenemethanol Synonym
- (S)-α-Phenethyl alcohol Synonym
- (S)-α-Phenylethanol Synonym
- (-)-1-Phenyl-1-ethanol Synonym
- (S)-(-)-α-Phenethyl alcohol Synonym
- (S)-Phenylmethylcarbinol Synonym
- (-)-sec-Phenethyl alcohol Synonym
- (S)-α-Hydroxyethylbenzene Synonym
- (-)-1-Phenylethyl alcohol Synonym
- (-)-α-Phenethyl alcohol Synonym
- (S)-(-)-sec-Phenethyl alcohol Synonym
- (S)-1-Phenethyl alcohol Synonym
- (S)-Phenylethanol Synonym
- (1S)-1-Phenylethanol Synonym
- (-)-(S)-1-Phenylethanol Synonym
- (S)-(-)-Phenylethanol Synonym
- (1S)-1-Phenylethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.16699999999996 g/mol | RDKit | |
| 122.167 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WAPNOHKVXSQRPX-ZETCQYMHSA-N | CAS Common Chemistry |
| Name | (S)-1-Phenylethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.7399 | RDKit |
| 1.76 | chempirical lib | |
| Molar Refractivity | 37.07580000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 122.07316494 g/mol | RDKit |
| Boiling Point | 93 °C @ 14 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 = 122.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O.
