Back to Search
3-(4-Hydroxyphenyl)-1-Propanol
CAS: 10210-17-0 | C9H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10210-17-0
Molecular Formula:
C9H12O2
Molecular Mass:
152.19 g/mol
Names and Synonyms:
3-(4-Hydroxyphenyl)-1-Propanol
Benzenepropanol, 4-hydroxy-
1-Propanol, 3-(p-hydroxyphenyl)-
4-Hydroxybenzenepropanol
3-(p-Hydroxyphenyl)-1-propanol
Dihydro-p-coumaryl alcohol
1-(4-Hydroxyphenyl)-3-propanol
3-(p-Hydroxyphenyl)propyl alcohol
4-(3-Hydroxypropyl)phenol
3-(4-Hydroxyphenyl)-1-propanol
3-(4-Hydroxyphenyl)propanol
Identifiers:
SMILES:
OCCCc1ccc(O)cc1
InChI:
InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
Key Properties
Boiling Point
170 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
54 °C
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 | 152.19 g/mol | CAS Common Chemistry |
| 152.19299999999998 g/mol | RDKit | |
| 152.083729624 g/mol | RDKit | |
| Boiling Point | 170 °C @ Press: 2 Torr | CAS Common Chemistry |
| 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 | RDKit |
