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5-Phenyl-1-Pentanol
CAS: 10521-91-2 | C11H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10521-91-2
Molecular Formula:
C11H16O
Molecular Mass:
164.25 g/mol
Names and Synonyms:
5-Phenyl-1-Pentanol
Benzenepentanol
1-Pentanol, 5-phenyl-
Phenylamyl alcohol
5-Phenylpentanol
Phenylpentanol
5-Phenyl-1-pentanol
5-Phenyl-1-pentyl alcohol
NSC 6590
Identifiers:
SMILES:
OCCCCCc1ccccc1
InChI:
InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
Key Properties
Boiling Point
155 °C @ Press: 20 Torr
CAS Common Chemistry
Density
0.97 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.25 g/mol | CAS Common Chemistry |
| 164.24800000000002 g/mol | RDKit | |
| 164.120115132 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9704 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 155 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCCCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DPZMVZIQRMVBBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Phenyl-1-pentanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.3917 | RDKit |
| Molar Refractivity | 51.08280000000004 | RDKit |
