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Molecule
Dihydroconiferyl Alcohol
CAS: 2305-13-7 · C10H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2305-13-7
- Molecular Formula
- C10H14O3
- Molecular Mass
- 182.22 g/mol
Identifiers
CAS Registry Number
2305-13-7
SMILES
COc1cc(CCCO)ccc1O
InChI Key
MWOMNLDJNQWJMK-UHFFFAOYSA-N
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
Names and Synonyms
- Dihydroconiferyl Alcohol Common Name
- Benzenepropanol, 4-hydroxy-3-methoxy- Synonym
- 1-Propanol, 3-(4-hydroxy-3-methoxyphenyl)- Synonym
- 4-Hydroxy-3-methoxybenzenepropanol Synonym
- Coniferyl alcohol, dihydro- Synonym
- Dihydroconiferyl alcohol Synonym
- 3-(p-Hydroxy-m-methoxyphenyl)-1-propanol Synonym
- 4-(3-Hydroxypropyl)-2-methoxyphenol Synonym
- 3-Guaiacyl-1-propanol Synonym
- Guaiacyl-3-propanol Synonym
- 1-Guaiacyl-3-propanol Synonym
- 4-(γ-Hydroxypropyl)-2-methoxyphenol Synonym
- 3-(4-Hydroxy-3-methoxyphenyl)-1-propanol Synonym
- 3-(3-Methoxy-4-hydroxyphenyl)propanol Synonym
- 3-(4-Hydroxy-3-methoxyphenyl)propanol Synonym
- NSC 4591 Synonym
- DHCA Synonym
- 3-(3-Methoxy-4-hydroxyphenyl)-1-propanol Synonym
- 4-Propanolguaiacol Synonym
- 4-(3-Hydroxypropyl)guaiacol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.22 g/mol | CAS Common Chemistry |
| 182.21900000000002 g/mol | RDKit | |
| 182.219 g/mol | RDKit | |
| 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 |
| 1.3257 | RDKit | |
| Molar Refractivity | 50.06560000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 182.094294308 g/mol | RDKit |
| Boiling Point | 196 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 182.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O3.
