Back to Search
Molecule
4-Phenyl-2-Butanol
CAS: 2344-70-9 · C10H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2344-70-9
- Molecular Formula
- C10H14O
- Molecular Mass
- 150.22 g/mol
Identifiers
CAS Registry Number
2344-70-9
SMILES
CC(O)CCc1ccccc1
InChI Key
GDWRKZLROIFUML-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
Names and Synonyms
- 4-Phenyl-2-Butanol Systematic Name
- Benzenepropanol, α-methyl- Synonym
- 2-Butanol, 4-phenyl- Synonym
- α-Methylbenzenepropanol Synonym
- 4-Phenyl-2-butanol Synonym
- 1-Phenyl-3-butanol Synonym
- 1-Methyl-3-phenyl-1-propanol Synonym
- 2-Hydroxy-4-phenylbutane Synonym
- (±)-4-Phenylbutan-2-ol Synonym
- NSC 69076 Synonym
- (±)-3-Phenyl-1-methylpropanol Synonym
- (3-Hydroxybutyl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.22 g/mol | CAS Common Chemistry |
| 150.221 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9899 g/cm3 @ 1 °C | CAS Common Chemistry | |
| Boiling Point | 239 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GDWRKZLROIFUML-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61 °C | CAS Common Chemistry |
| Name | 4-Phenyl-2-butanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.0 | RDKit |
| Molar Refractivity | 46.44380000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 150.104465068 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
Convert
Quick conversion
MW = 150.22 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O.
