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Molecule
2-(4-Chlorophenoxy)Ethanol
CAS: 1892-43-9 · C8H9ClO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1892-43-9
- Molecular Formula
- C8H9ClO2
- Molecular Mass
- 172.61 g/mol
Identifiers
CAS Registry Number
1892-43-9
SMILES
OCCOc1ccc(Cl)cc1
InChI Key
GEGSSUSEWOHAFE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
Names and Synonyms
- 2-(4-Chlorophenoxy)Ethanol Systematic Name
- Ethanol, 2-(4-chlorophenoxy)- Synonym
- Ethanol, 2-(p-chlorophenoxy)- Synonym
- 2-(4-Chlorophenoxy)ethanol Synonym
- 2-(p-Chlorophenoxy)ethanol Synonym
- Chloro-p-phenoxetol Synonym
- p-Chlorophenyl monoglycol ether Synonym
- p-Chlorophenyl glycol ether Synonym
- Chlorophetanol Synonym
- Fungisan Synonym
- p-Chlorophenyl 2-hydroxyethyl ether Synonym
- Mycotetracid Synonym
- 4-(2-Hydroxyethoxy)chlorobenzene Synonym
- β-(p-Chlorophenoxy)ethanol Synonym
- FKE 01 Synonym
- NSC 8133 Synonym
- 2-(4-Chlorophenoxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.61 g/mol | CAS Common Chemistry |
| 172.611 g/mol | RDKit | |
| 172.608 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C(OCCO)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GEGSSUSEWOHAFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | 2-(4-Chlorophenoxy)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.7110999999999998 | RDKit |
| 1.7111 | RDKit | |
| Molar Refractivity | 44.03280000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 172.029107208 g/mol | RDKit |
| Boiling Point | 178 °C @ 35 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 172.61 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9ClO2.
