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Dihydroconiferyl Alcohol
CAS: 2305-13-7 | C10H14O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2305-13-7
Molecular Formula:
C10H14O3
Molecular Mass:
182.22 g/mol
Names and Synonyms:
Dihydroconiferyl Alcohol
Benzenepropanol, 4-hydroxy-3-methoxy-
1-Propanol, 3-(4-hydroxy-3-methoxyphenyl)-
4-Hydroxy-3-methoxybenzenepropanol
Coniferyl alcohol, dihydro-
Dihydroconiferyl alcohol
3-(p-Hydroxy-m-methoxyphenyl)-1-propanol
4-(3-Hydroxypropyl)-2-methoxyphenol
3-Guaiacyl-1-propanol
Guaiacyl-3-propanol
1-Guaiacyl-3-propanol
4-(γ-Hydroxypropyl)-2-methoxyphenol
3-(4-Hydroxy-3-methoxyphenyl)-1-propanol
3-(3-Methoxy-4-hydroxyphenyl)propanol
3-(4-Hydroxy-3-methoxyphenyl)propanol
NSC 4591
DHCA
3-(3-Methoxy-4-hydroxyphenyl)-1-propanol
4-Propanolguaiacol
4-(3-Hydroxypropyl)guaiacol
Identifiers:
SMILES:
COc1cc(CCCO)ccc1O
InChI:
InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
Key Properties
Boiling Point
196 °C @ Press: 16 Torr
CAS Common Chemistry
Melting Point
65 °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 | 182.22 g/mol | CAS Common Chemistry |
| 182.21900000000002 g/mol | RDKit | |
| 182.094294308 g/mol | RDKit | |
| Boiling Point | 196 °C @ Press: 16 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1OC)CCCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MWOMNLDJNQWJMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65 °C | CAS Common Chemistry |
| Name | Dihydroconiferyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 1.3256999999999997 | RDKit |
| Molar Refractivity | 50.06560000000003 | RDKit |
