Basic information
- CAS
712-09-4- Standard SMILES
COc1ccc2[nH]cc(CCO)c2c1- InChIKey
QLWKTGDEPLRFAT-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Overview
5-Methoxytryptophol is a member of indoles.
Names & identifiers
- Preferred name
- 5-Methoxytryptophol
- IUPAC
- 2-(5-methoxy-1H-indol-3-yl)ethanol
- English name
- 5-Methoxytryptophol
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
5-Methoxytryptophol712-09-42-(5-Methoxy-1H-indol-3-yl)ethanolMethoxytryptophol5-Methoxyindole-3-ethanol2-(5-Methoxy-1H-indol-3-yl)ethan-1-ol1H-Indole-3-ethanol, 5-methoxy-INDOLE-3-ETHANOL, 5-METHOXY-DTXSID00221394RefChem:103079DTXCID00143885211-919-3
Show more names
5-methoxy-indole-3-ethano5-METHOXYTRYPTOPHOL(5MeOIEt)5-methoxy-1h-indole-3-ethano5-METHOXY-3-(2-HYDROXYETHYL)INDOLE
5-Methoxy-1H-indole-3-ethanolMFCD000471962-(5-METHOXY-1H-INDOL-3-YL)-1-ETHANOL3-(2-Hydroxyethyl)-5-Methoxy-1H-indoleCHEMBL14485SCHEMBL676574NCGC00163352-01CS-0059533
Database identifiers
- CAS
712-09-4- PubChem CID
- 12835
- DTXSID
DTXSID00221394- ChEMBL
CHEMBL14485- ChEBI
CHEBI:89851- EC Number
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 326.97 °C · 326.97°C (rough estimate)
- Density
- 1.224 · 1.224
- refractive index
- 1.522 · 1.5220 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Viscous Liquid
- pka
- 14.9 · 14.90±0.10(Predicted)
- color
- Dark Yellow to Very Dark Brown
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
- InChIKey
- QLWKTGDEPLRFAT-UHFFFAOYSA-N
- SMILES
- COc1ccc2[nH]cc(CCO)c2c1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- NL8513000
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
Applications
Description5-methoxy Tryptophol (5-MTOH) is a natural indole that is produced by the pineal gland. It is a product of melatonin metabolism that may be biologically active. The levels of 5-MTOH in plasma vary in a diurnal pattern in rodents and humans.
Uses5-Methoxytryptophol is a compound known to play a significant role in bone metabolism. 5-Methoxytryptophol can inhibit osteoclastogenesis and promote osteoblast differentiation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers66 total
Related reactions
4 records
Compound notes
Loading…