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Molecule
(+)-1-Phenylethanol
CAS: 1517-69-7 · C8H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1517-69-7
- Molecular Formula
- C8H10O
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
1517-69-7
SMILES
C[C@@H](O)c1ccccc1
InChI Key
WAPNOHKVXSQRPX-SSDOTTSWSA-N
InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
Names and Synonyms
- (+)-1-Phenylethanol Synonym
- Benzenemethanol, α-methyl-, (αR)- Synonym
- Benzyl alcohol, α-methyl-, (R)-(+)- Synonym
- Benzenemethanol, α-methyl-, (R)- Synonym
- (αR)-α-Methylbenzenemethanol Synonym
- D-(+)-Methylphenylcarbinol Synonym
- (+)-α-Methylbenzyl alcohol Synonym
- (+)-1-Phenylethanol Synonym
- (R)-α-Methylbenzyl alcohol Synonym
- (R)-(+)-α-Hydroxyethylbenzene Synonym
- (+)-α-Phenylethanol Synonym
- d-1-Phenylethanol Synonym
- (R)-(+)-α-Phenylethanol Synonym
- D-(+)-α-Phenylethanol Synonym
- (R)-(+)-α-Methylbenzyl alcohol Synonym
- d-α-Phenethyl alcohol Synonym
- (R)-α-Phenylethanol Synonym
- R(+)-Phenylethanol Synonym
- (R)-(+)-α-Methylbenzenemethanol Synonym
- (R)-1-Phenylethyl alcohol Synonym
- (R)-(+)-α-Phenethyl alcohol Synonym
- (R)-Phenylmethylcarbinol Synonym
- (R)-1-Phenylethanol Synonym
- (+)-sec-Phenethyl alcohol Synonym
- (R)-sec-Phenethyl alcohol Synonym
- (R)-α-Hydroxyethylbenzene Synonym
- (+)-1-Phenylethyl alcohol Synonym
- (R)-α-Phenethyl alcohol Synonym
- (+)-α-Phenethyl alcohol Synonym
- (R)-α-Methylbenzenemethanol Synonym
- R-α-Methylbenzyl alcohol Synonym
- (R)-(+)-sec-Phenethyl alcohol Synonym
- (R)-sec-Phenylethyl alcohol Synonym
- (R)-Phenylethanol Synonym
- (R)-(+)-1-Phenylethanol Synonym
- (1R)-1-Phenylethanol Synonym
- (R)-(+)-Phenylethanol Synonym
- (R)-(+)-1-Phenylethanol Synonym
- (1R)-1-Phenylethanol Synonym
- (R)-Phenylethanol Synonym
- (R)-1-Phenylethan-1-ol Synonym
- (1R)-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 | |
| Boiling Point | 98 °C | CAS Common Chemistry |
| 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-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WAPNOHKVXSQRPX-SSDOTTSWSA-N | CAS Common Chemistry |
| Melting Point | 9-11 °C | CAS Common Chemistry |
| Name | (+)-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 |
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
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MW = 122.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O.
