Back to Search
Molecule
1-(2-Chlorophenyl)Ethanol
CAS: 13524-04-4 · C8H9ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13524-04-4
- Molecular Formula
- C8H9ClO
- Molecular Mass
- 156.61 g/mol
Identifiers
CAS Registry Number
13524-04-4
SMILES
CC(O)c1ccccc1Cl
InChI Key
DDUBOVLGCYUYFX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
Names and Synonyms
- 1-(2-Chlorophenyl)Ethanol Synonym
- Benzenemethanol, 2-chloro-α-methyl- Synonym
- Benzyl alcohol, o-chloro-α-methyl- Synonym
- 2-Chloro-α-methylbenzenemethanol Synonym
- α-(o-Chlorophenyl)ethanol Synonym
- 1-(2-Chlorophenyl)ethanol Synonym
- (±)-1-(2-Chlorophenyl)ethanol Synonym
- 1-(o-Chlorophenyl)ethanol Synonym
- (±)-1-(o-Chlorophenyl)ethanol Synonym
- 1-(2-Chlorophenyl)-1-ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.61 g/mol | CAS Common Chemistry |
| 156.61199999999997 g/mol | RDKit | |
| 156.612 g/mol | RDKit | |
| 156.609 g/mol | chempirical lib | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.355 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | ClC=1C=CC=CC1C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DDUBOVLGCYUYFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(2-Chlorophenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.393300000000001 | RDKit |
| 2.3933 | RDKit | |
| 2.33 | chempirical lib | |
| Molar Refractivity | 42.08580000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 156.034192588 g/mol | RDKit |
| Boiling Point | 115-116 °C @ 12 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 = 156.61 g/mol; density = 1.360 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9ClO.
