3,4,5-Trimethoxytoluene

CAS 6443-69-2  ·  C10H14O3  ·  MW 182.22 g/mol

Loading molecule...
3D model 3,4,5-Trimethoxytoluene, CAS 6443-69-2, molecular formula C10H14O3, molar mass 182.22 g/mol
About 3,4,5-Trimethoxytoluene

3,4,5-Trimethoxytoluene is a chemical compound registered under number CAS 6443-69-2, with the molecular formula C10H14O3, and a molar mass of 182.22 g/mol.

The molecule contains 27 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 1,2,3-trimethoxy-5-methylbenzene. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 27.7 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC10H14O3
Masa molowa182.22 g/mol
IUPAC1,2,3-trimethoxy-5-methylbenzene
SMILESCC1=CC(=C(C(=C1)OC)OC)OC
InChIKeyKCIZTNZGSBSSRM-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA27.7 Ų
HBD / HBA0 / 3
PubChem CIDCID 80922 ↗
Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
3,4,5-Trimethoxytoluene · 6443-69-2 · 1,2,3-Trimethoxy-5-methylbenzene · DZV7MLT5SB · RefChem:90941 · DTXCID10137174 · 229-239-0 · Benzene, 1,2,3-trimethoxy-5-methyl- · 5-Methylpyrogallol trimethyl ether · 1,2,3-Trimethoxy-5-methyl-benzene · 3,4,5-Trimethoxy toluene · MFCD00008397 · Toluene, 3,4,5-trimethoxy- · EINECS 229-239-0 · 3,4,5-trimethoxy-toluene
Data sources
Related molecules
—
📜 License & provenanceMolGod_License_1
Model
3,4,5-Trimethoxytoluene · 6443-69-2
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
3,4,5-Trimethoxytoluene (CAS 6443-69-2) →
MolGod molecule record
3,4,5-Trimethoxytoluene →
Source data
PubChem CID 80922 ↗
SHA-256 (STL)
905ece427e29e5dc07f26823d7e567376fb941c102e1be3efdfe8d9eb5359841
Wikimedia Commons
not published yet
📄 Download 3D model (549 KB)

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.