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Molecule
1-(4-Hydroxyphenyl)Ethanol
CAS: 2380-91-8 · C8H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2380-91-8
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
2380-91-8
SMILES
CC(O)c1ccc(O)cc1
InChI Key
PMRFBLQVGJNGLU-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3
Names and Synonyms
- 1-(4-Hydroxyphenyl)Ethanol Systematic Name
- Benzenemethanol, 4-hydroxy-α-methyl- Synonym
- Benzyl alcohol, p-hydroxy-α-methyl- Synonym
- 4-Hydroxy-α-methylbenzenemethanol Synonym
- 1-(4-Hydroxyphenyl)ethyl alcohol Synonym
- p-Hydroxy-α-methylbenzyl alcohol Synonym
- 1-(4-Hydroxyphenyl)-1-ethanol Synonym
- 1-(4-Hydroxyphenyl)ethanol Synonym
- p-(1-Hydroxyethyl)phenol Synonym
- (RS)-1-(4-Hydroxyphenyl)ethanol Synonym
- 4-Hydroxyphenylmethylcarbinol Synonym
- 4-(1-Hydroxyethyl)phenol Synonym
- 1-(p-Hydroxyphenyl)ethanol Synonym
- α-Methyl(4-hydroxy)benzyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.16599999999997 g/mol | RDKit | |
| 138.166 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PMRFBLQVGJNGLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132-133 °C | CAS Common Chemistry |
| Name | 1-(4-Hydroxyphenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.4454999999999998 | RDKit |
| 1.4455 | RDKit | |
| 1.47 | chempirical lib | |
| Molar Refractivity | 38.74060000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 138.06807956 g/mol | RDKit |
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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140
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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 = 138.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
