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Basic Description
| Synonyms | 3-(3,4-dimethoxy-phenyl)-propan-1-ol | 3-(3,4-dimethoxyphenyl)propan-1-ol | 3-(3,4dimethoxy-phenyl)-propan-1-ol | 3,4-Dimethoxybenzenepropanol | EINECS 223-499-9 | E84029 | 3-(3,4-Dimethoxyphenyl)-1-propanol, 99% | SCHEMBL81112 | Q27256154 | DTXSID2019253 |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
| Product Description |
Application 3-(3,4-Dimethoxyphenyl)-1-propanol was used in the synthesis of fluorinated benzamide neuroleptic, (S)-N-[(1-ethyl-2- pyrrolidinyl)methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Methoxybenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Phenoxy compounds Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
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Associated Targets(Human)
ACHE
Tclin
Acetylcholinesterase (18204 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-MEL-2 (46422 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-OV-3 (52876 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A549 (127892 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HCT-15 (51914 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
BV-2 (3710 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488185417 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185417 |
| IUPAC Name | 3-(3,4-dimethoxyphenyl)propan-1-ol |
| INCHI | InChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3 |
| InChIKey | ZISWRXJZUKDIOO-UHFFFAOYSA-N |
| Smiles | COC1=C(C=C(C=C1)CCCO)OC |
| Isomeric SMILES | COC1=C(C=C(C=C1)CCCO)OC |
| WGK Germany | 3 |
| Molecular Weight | 196.24 |
| Reaxy-Rn | 2049659 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049659&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2220449 |
Certificate of Analysis | Jul 10, 2025 | D351708 |
| I2220312 |
Certificate of Analysis | Jul 10, 2025 | D351708 |
| I2220471 |
Certificate of Analysis | Jul 09, 2025 | D351708 |
| I2220470 |
Certificate of Analysis | Jul 09, 2025 | D351708 |
| I2220469 |
Certificate of Analysis | Jul 09, 2025 | D351708 |
Chemical and Physical Properties
| Refractive Index | 1.54 |
|---|---|
| Flash Point(°F) | >235.4 °F |
| Flash Point(°C) | >113 °C |
| Boil Point(°C) | 142-144° C (lit.) |
| Molecular Weight | 196.240 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 196.11 Da |
| Monoisotopic Mass | 196.11 Da |
| Topological Polar Surface Area | 38.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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