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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 Weight:
152.19299999999998 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 152.19299999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.083729624 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 40.46 Ų | RDKit |
| Physical Properties | LogP | 1.3171 | RDKit |
| cas-canonical-smile | OC1=CC=C(C=C1)CCCO | Legacy Database | |
| cas-inchi | InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2 | Legacy Database | |
| cas-inchi-key | InChIKey=NJCVPQRHRKYSAZ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 54 °C | Legacy Database | |
| cas-name | 3-(4-Hydroxyphenyl)-1-propanol | Legacy Database | |
| molecular_mass | 152.19 g/mol | Legacy Database | |
| cas-boiling-point | 170 °C @ Press: 2 Torr | Legacy Database | |
| Molar | Molar Refractivity | 43.513600000000025 | RDKit |
