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Molecule
3-(4-Hydroxyphenyl)-1-Propanol
CAS: 10210-17-0 · C9H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10210-17-0
- Molecular Formula
- C9H12O2
- Molecular Mass
- 152.19 g/mol
Identifiers
CAS Registry Number
10210-17-0
SMILES
OCCCc1ccc(O)cc1
InChI Key
NJCVPQRHRKYSAZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
Names and Synonyms
- 3-(4-Hydroxyphenyl)-1-Propanol Synonym
- Benzenepropanol, 4-hydroxy- Synonym
- 1-Propanol, 3-(p-hydroxyphenyl)- Synonym
- 4-Hydroxybenzenepropanol Synonym
- 3-(p-Hydroxyphenyl)-1-propanol Synonym
- Dihydro-p-coumaryl alcohol Synonym
- 1-(4-Hydroxyphenyl)-3-propanol Synonym
- 3-(p-Hydroxyphenyl)propyl alcohol Synonym
- 4-(3-Hydroxypropyl)phenol Synonym
- 3-(4-Hydroxyphenyl)-1-propanol Synonym
- 3-(4-Hydroxyphenyl)propanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.19 g/mol | CAS Common Chemistry |
| 152.19299999999998 g/mol | RDKit | |
| 152.193 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)CCCO | CAS Common Chemistry |
| InChI | InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NJCVPQRHRKYSAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54 °C | CAS Common Chemistry |
| Name | 3-(4-Hydroxyphenyl)-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.3171 | RDKit |
| Molar Refractivity | 43.513600000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 152.083729624 g/mol | RDKit |
| Boiling Point | 170 °C @ 2 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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| 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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MW = 152.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12O2.
