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Molecule
5-Phenyl-1-Pentanol
CAS: 10521-91-2 · C11H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10521-91-2
- Molecular Formula
- C11H16O
- Molecular Mass
- 164.25 g/mol
Identifiers
CAS Registry Number
10521-91-2
SMILES
OCCCCCc1ccccc1
InChI Key
DPZMVZIQRMVBBW-UHFFFAOYSA-N
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
Names and Synonyms
- 5-Phenyl-1-Pentanol Synonym
- Benzenepentanol Synonym
- 1-Pentanol, 5-phenyl- Synonym
- Phenylamyl alcohol Synonym
- 5-Phenylpentanol Synonym
- Phenylpentanol Synonym
- 5-Phenyl-1-pentanol Synonym
- 5-Phenyl-1-pentyl alcohol Synonym
- NSC 6590 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.25 g/mol | CAS Common Chemistry |
| 164.24800000000002 g/mol | RDKit | |
| 164.248 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9704 g/cm3 @ 20 °C | 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 164.120115132 g/mol | RDKit |
| Boiling Point | 155 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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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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Quick conversion
MW = 164.25 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H16O.
